Name: Name:4-[(([4-(2-CHLOROPHENOXY)PHENYL]SULFONYL)AMINO)METHYL]BENZOIC ACID
Brand: Angene
SKU: AG00FFVW
Rating: 90 (10 reviews)

4-[(([4-(2-CHLOROPHENOXY)PHENYL]SULFONYL)AMINO)METHYL]BENZOIC ACID

CAS No.:

727689-54-5

Catalog Number:

AG00FFVW

Molecular Formula:

C20H16ClNO5S

Molecular Weight:

417.8627

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Purity

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Product Description

Catalog Number:

AG00FFVW

Chemical Name:

4-[(([4-(2-CHLOROPHENOXY)PHENYL]SULFONYL)AMINO)METHYL]BENZOIC ACID

CAS Number:

727689-54-5

Molecular Formula:

C20H16ClNO5S

Molecular Weight:

417.8627

MDL Number:

MFCD05866544

IUPAC Name:

4-[[[4-(2-chlorophenoxy)phenyl]sulfonylamino]methyl]benzoic acid

InChI:

InChI=1S/C20H16ClNO5S/c21-18-3-1-2-4-19(18)27-16-9-11-17(12-10-16)28(25,26)22-13-14-5-7-15(8-6-14)20(23)24/h1-12,22H,13H2,(H,23,24)

InChI Key:

NSXMPQYOUHHCQB-UHFFFAOYSA-N

SMILES:

Clc1ccccc1Oc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)O

Properties

Complexity:

607

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

417.044g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

417.86g/mol

Monoisotopic Mass:

417.044g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

101A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.1

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501