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3-(N-methylbenzenesulfonamido)benzoic acid

3-(N-methylbenzenesulfonamido)benzoic acid

Formula: C14H13NO4S

SMILES: CN(C1=CC(=CC=C1)C(O)=O)S(=O)(=O)C1=CC=CC=C1

IUPAC: 3-(N-methylbenzenesulfonamido)benzoic acid

InChI: InChI=1S/C14H13NO4S/c1-15(12-7-5-6-11(10-12)14(16)17)20(18,19)13-8-3-2-4-9-13/h2-10H,1H3,(H,16,17)

Composition: C (57.72%), H (4.50%), N (4.81%), O (21.97%), S (11.01%)

Molar Mass: 291.32

Atom Count: 33

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 291.056529077
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey NZENKQZXOFEWKJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.04
Topological Polar Surface Area 74.68
Polarizability 29.38
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C14H13NO4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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