Name: Name:2-(N-methyl4-bromobenzenesulfonamido)acetic acid
Brand: Angene
SKU: AG019N9I
Rating: 90 (10 reviews)

2-(N-methyl4-bromobenzenesulfonamido)acetic acid

CAS No.:

361374-14-3

Catalog Number:

AG019N9I

Molecular Formula:

C9H10BrNO4S

Molecular Weight:

308.1490

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Product Description

Catalog Number:

AG019N9I

Chemical Name:

2-(N-methyl4-bromobenzenesulfonamido)acetic acid

CAS Number:

361374-14-3

Molecular Formula:

C9H10BrNO4S

Molecular Weight:

308.1490

MDL Number:

MFCD02647707

IUPAC Name:

2-[(4-bromophenyl)sulfonyl-methylamino]acetic acid

InChI:

InChI=1S/C9H10BrNO4S/c1-11(6-9(12)13)16(14,15)8-4-2-7(10)3-5-8/h2-5H,6H2,1H3,(H,12,13)

InChI Key:

PEINVNOSCFNBIB-UHFFFAOYSA-N

SMILES:

CN(S(=O)(=O)c1ccc(cc1)Br)CC(=O)O

Properties

Complexity:

343

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

306.951g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

308.146g/mol

Monoisotopic Mass:

306.951g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

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