5-(dimethylsulfamoyl)-2-fluorobenzoic acid

5-(dimethylsulfamoyl)-2-fluorobenzoic acid

CAS: 91103-94-5

Formula: C9H10FNO4S

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

IUPAC: 5-(dimethylsulfamoyl)-2-fluorobenzoic acid

InChI: InChI=1S/C9H10FNO4S/c1-11(2)16(14,15)6-3-4-8(10)7(5-6)9(12)13/h3-5H,1-2H3,(H,12,13)

Composition: C (43.72%), H (4.08%), F (7.68%), N (5.67%), O (25.88%), S (12.97%)

Molar Mass: 247.24

Atom Count: 26

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	247.031457143
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	SPLPERBFJNXJRZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.48
Topological Polar Surface Area	74.68
Polarizability	21.51
Ring Count	1
Rotatable Bond Count	2

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95%	<2 Days	91103-94-5		$406.41-$636.35$406.41$636.35