N-(2,3-difluorophenyl)-2-(methylamino)benzenesulfonamide

C13H12F2N2O2S — CID 62146722

IUPACN-(2,3-difluorophenyl)-2-(methylamino)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)Nc1cccc(F)c1F
InChIInChI=1S/C13H12F2N2O2S/c1-16-10-6-2-3-8-12(10)20(18,19)17-11-7-4-5-9(14)13(11)15/h2-8,16-17H,1H3
InChIKeyLIXMXQBAXRPBQD-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.81
Rot. Bonds4

About N-(2,3-difluorophenyl)-2-(methylamino)benzenesulfonamide

N-(2,3-difluorophenyl)-2-(methylamino)benzenesulfonamide (PubChem CID 62146722) has the molecular formula C13H12F2N2O2S and a molecular weight of 298.31 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-2-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-2-(methylamino)benzenesulfonamide
PubChem CID62146722
Molecular FormulaC13H12F2N2O2S
Molecular Weight298.31 g/mol
Exact Mass298.06
IUPAC NameN-(2,3-difluorophenyl)-2-(methylamino)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)Nc1cccc(F)c1F
InChIInChI=1S/C13H12F2N2O2S/c1-16-10-6-2-3-8-12(10)20(18,19)17-11-7-4-5-9(14)13(11)15/h2-8,16-17H,1H3
InChIKeyLIXMXQBAXRPBQD-UHFFFAOYSA-N
XLogP2.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 62149736
2,3-difluoro-N-methylaniline
CID 50998712
2-bromo-3-chloro-N-(2,3-difluorophenyl)benzenesulfonamide
CID 154840283
N-(5-fluoro-2-methylphenyl)-2-(methylamino)benzenesulfonamide
CID 62142787
5-bromo-N-(2,3-difluorophenyl)-2-methylbenzenesulfonamide
CID 47336995
N-(2-bromo-4,6-difluorophenyl)-2-(methylamino)benzenesulfonamide
CID 62142695
2-(methylamino)-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 62149038
5-amino-N-(2,3-difluorophenyl)-1H-pyrazole-4-sulfonamide
CID 61076416
N-(2,3-difluorophenyl)ethanesulfonamide
CID 64586893
N-(2,3-difluorophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 61076846
N-(3-cyano-4-fluorophenyl)-2-(methylamino)benzenesulfonamide
CID 62317403
3-[(2,3-difluorophenyl)sulfamoyl]-4-methylbenzoic acid
CID 52715195

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-2-(methylamino)benzenesulfonamide?
The IUPAC name of N-(2,3-difluorophenyl)-2-(methylamino)benzenesulfonamide (CID 62146722) is N-(2,3-difluorophenyl)-2-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-(2,3-difluorophenyl)-2-(methylamino)benzenesulfonamide?
The canonical SMILES for N-(2,3-difluorophenyl)-2-(methylamino)benzenesulfonamide is CNc1ccccc1S(=O)(=O)Nc1cccc(F)c1F.
What is the InChIKey of N-(2,3-difluorophenyl)-2-(methylamino)benzenesulfonamide?
The InChIKey is LIXMXQBAXRPBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2S/c1-16-10-6-2-3-8-12(10)20(18,19)17-11-7-4-5-9(14)13(11)15/h2-8,16-17H,1H3.
What are the key properties of N-(2,3-difluorophenyl)-2-(methylamino)benzenesulfonamide?
N-(2,3-difluorophenyl)-2-(methylamino)benzenesulfonamide has a molecular weight of 298.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-2-(methylamino)benzenesulfonamide is sourced from PubChem (CID 62146722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).