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3-(N-phenylbenzenesulfonamido)propanoic acid

3-(N-phenylbenzenesulfonamido)propanoic acid

CAS: 101090-64-6

Formula: C15H15NO4S

SMILES: OC(=O)CCN(C1=CC=CC=C1)S(=O)(=O)C1=CC=CC=C1

IUPAC: 3-(N-phenylbenzenesulfonamido)propanoic acid

InChI: InChI=1S/C15H15NO4S/c17-15(18)11-12-16(13-7-3-1-4-8-13)21(19,20)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,18)

Composition: C (59.00%), H (4.95%), N (4.59%), O (20.96%), S (10.50%)

Molar Mass: 305.35

Atom Count: 36

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 305.072179141
Formal Charge 0
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey YHCHKHPWQVJCBP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.57
Topological Polar Surface Area 74.68
Polarizability 31.24
Ring Count 2
Rotatable Bond Count 5

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95% <2 Days 101090-64-6 $404.27$404.27
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