2-(methylamino)-N-(2,3,4-trifluorophenyl)benzenesulfonamide

C13H11F3N2O2S — CID 62149736

IUPAC2-(methylamino)-N-(2,3,4-trifluorophenyl)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H11F3N2O2S/c1-17-9-4-2-3-5-11(9)21(19,20)18-10-7-6-8(14)12(15)13(10)16/h2-7,17-18H,1H3
InChIKeyWKHQPHDTMHLQSR-UHFFFAOYSA-N
MW316.30 g/mol
LogP2.95
Rot. Bonds4

About 2-(methylamino)-N-(2,3,4-trifluorophenyl)benzenesulfonamide

2-(methylamino)-N-(2,3,4-trifluorophenyl)benzenesulfonamide (PubChem CID 62149736) has the molecular formula C13H11F3N2O2S and a molecular weight of 316.30 g/mol. Its IUPAC name is 2-(methylamino)-N-(2,3,4-trifluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-(2,3,4-trifluorophenyl)benzenesulfonamide
PubChem CID62149736
Molecular FormulaC13H11F3N2O2S
Molecular Weight316.30 g/mol
Exact Mass316.05
IUPAC Name2-(methylamino)-N-(2,3,4-trifluorophenyl)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H11F3N2O2S/c1-17-9-4-2-3-5-11(9)21(19,20)18-10-7-6-8(14)12(15)13(10)16/h2-7,17-18H,1H3
InChIKeyWKHQPHDTMHLQSR-UHFFFAOYSA-N
XLogP2.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-difluorophenyl)-2-(methylamino)benzenesulfonamide
CID 62146722
2-cyano-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 2579215
2,3-dichloro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 2093570
N-(5-fluoro-2-methylphenyl)-2-(methylamino)benzenesulfonamide
CID 62142787
2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 9235627
5-chloro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 38888748
4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 24656227
2,4-dimethyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 8500544
N-(3-cyano-4-fluorophenyl)-2-(methylamino)benzenesulfonamide
CID 62317403
N-(2-bromo-4,6-difluorophenyl)-2-(methylamino)benzenesulfonamide
CID 62142695
2-(methylamino)-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 62149038
ethane;2,3,4-trifluoro-N-methylaniline
CID 157043663

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
The IUPAC name of 2-(methylamino)-N-(2,3,4-trifluorophenyl)benzenesulfonamide (CID 62149736) is 2-(methylamino)-N-(2,3,4-trifluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2-(methylamino)-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
The canonical SMILES for 2-(methylamino)-N-(2,3,4-trifluorophenyl)benzenesulfonamide is CNc1ccccc1S(=O)(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(methylamino)-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
The InChIKey is WKHQPHDTMHLQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2S/c1-17-9-4-2-3-5-11(9)21(19,20)18-10-7-6-8(14)12(15)13(10)16/h2-7,17-18H,1H3.
What are the key properties of 2-(methylamino)-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
2-(methylamino)-N-(2,3,4-trifluorophenyl)benzenesulfonamide has a molecular weight of 316.30 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(2,3,4-trifluorophenyl)benzenesulfonamide is sourced from PubChem (CID 62149736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).