2-(4-methoxybenzenesulfonamido)propanoic acid

2-(4-methoxybenzenesulfonamido)propanoic acid

CAS: 85622-69-1

Formula: C10H13NO5S

SMILES: COC1=CC=C(C=C1)S(=O)(=O)NC(C)C(O)=O

IUPAC: 2-(4-methoxybenzenesulfonamido)propanoic acid

InChI: InChI=1/C10H13NO5S/c1-7(10(12)13)11-17(14,15)9-5-3-8(16-2)4-6-9/h3-7,11H,1-2H3,(H,12,13)

Composition: C (46.33%), H (5.05%), N (5.40%), O (30.85%), S (12.37%)

Molar Mass: 259.28

Atom Count: 30

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	259.051443697
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	XTCIPBHRVYICGT-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.15
Topological Polar Surface Area	92.7
Polarizability	24.29
Ring Count	1
Rotatable Bond Count	4

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