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2-chloro-5-[(4-fluorophenyl)(methyl)sulfamoyl]benzoic acid

2-chloro-5-[(4-fluorophenyl)(methyl)sulfamoyl]benzoic acid

Formula: C14H11ClFNO4S

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

IUPAC: 2-chloro-5-[(4-fluorophenyl)(methyl)sulfamoyl]benzoic acid

InChI: InChI=1S/C14H11ClFNO4S/c1-17(10-4-2-9(16)3-5-10)22(20,21)11-6-7-13(15)12(8-11)14(18)19/h2-8H,1H3,(H,18,19)

Composition: C (48.92%), H (3.23%), Cl (10.31%), F (5.53%), N (4.07%), O (18.62%), S (9.33%)

Molar Mass: 343.75

Atom Count: 33

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 343.0081349
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey OQZORFCSUZSIDR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.06
Topological Polar Surface Area 74.68
Polarizability 31.07
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime Formula UnitPrice
98% <10 Days C14H11ClFNO4S Quote Only