Name: Name:1-(4-chlorobenzenesulfonyl)cyclopentane-1-carboxylic acid
Brand: Angene
SKU: AG019PM4
Rating: 90 (10 reviews)

1-(4-chlorobenzenesulfonyl)cyclopentane-1-carboxylic acid

CAS No.:

505071-95-4

Catalog Number:

AG019PM4

Molecular Formula:

C12H13ClO4S

Molecular Weight:

288.7472

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Product Description

Catalog Number:

AG019PM4

Chemical Name:

1-(4-chlorobenzenesulfonyl)cyclopentane-1-carboxylic acid

CAS Number:

505071-95-4

Molecular Formula:

C12H13ClO4S

Molecular Weight:

288.7472

MDL Number:

MFCD03701697

IUPAC Name:

1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxylic acid

InChI:

InChI=1S/C12H13ClO4S/c13-9-3-5-10(6-4-9)18(16,17)12(11(14)15)7-1-2-8-12/h3-6H,1-2,7-8H2,(H,14,15)

InChI Key:

UVFIGUUIPQNZBK-UHFFFAOYSA-N

SMILES:

OC(=O)C1(CCCC1)S(=O)(=O)c1ccc(cc1)Cl

Properties

Complexity:

412

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

288.022g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

288.742g/mol

Monoisotopic Mass:

288.022g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties