2-(4-bromobenzenesulfonamido)-3-phenylpropanoic acid

2-(4-bromobenzenesulfonamido)-3-phenylpropanoic acid

CAS: 37642-61-8

Formula: C15H14BrNO4S

SMILES: OC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(Br)C=C1

IUPAC: 2-(4-bromobenzenesulfonamido)-3-phenylpropanoic acid

InChI: InChI=1/C15H14BrNO4S/c16-12-6-8-13(9-7-12)22(20,21)17-14(15(18)19)10-11-4-2-1-3-5-11/h1-9,14,17H,10H2,(H,18,19)

Composition: C (46.89%), H (3.67%), Br (20.80%), N (3.65%), O (16.66%), S (8.34%)

Molar Mass: 384.24

Atom Count: 36

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	382.982692
Formal Charge	0
FSP3	0.13
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	YYNNRJWNBXEQTP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.93
Topological Polar Surface Area	83.47
Polarizability	34.11
Ring Count	2
Rotatable Bond Count	5

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Key Organics Ltd

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	37642-61-8		$51.35-$359.43$51.35$63.37$75.38$86.31$120.18$359.43