4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide

C13H9F4NO2S — CID 24656227

IUPAC4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H9F4NO2S/c1-7-6-8(14)2-5-11(7)21(19,20)18-10-4-3-9(15)12(16)13(10)17/h2-6,18H,1H3
InChIKeyCWWRISQIBNWPFO-UHFFFAOYSA-N
MW319.28 g/mol
LogP3.35
Rot. Bonds3

About 4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide

4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide (PubChem CID 24656227) has the molecular formula C13H9F4NO2S and a molecular weight of 319.28 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
PubChem CID24656227
Molecular FormulaC13H9F4NO2S
Molecular Weight319.28 g/mol
Exact Mass319.03
IUPAC Name4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H9F4NO2S/c1-7-6-8(14)2-5-11(7)21(19,20)18-10-4-3-9(15)12(16)13(10)17/h2-6,18H,1H3
InChIKeyCWWRISQIBNWPFO-UHFFFAOYSA-N
XLogP3.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 8500544
2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 9235627
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613
5-chloro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 38888748
N-(5-amino-2-bromo-4-methylphenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104814659
N-(2-amino-5-fluorophenyl)-2,3,4-trifluorobenzenesulfonamide
CID 63257823
N-(2-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 47148910
4-fluoro-N-(5-fluoro-2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 110776614
4-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 43257739
2-amino-N-(4-fluoro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 28556510
4-amino-2-methyl-N-(2,3,5-trifluorophenyl)benzenesulfonamide
CID 62809289
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide (CID 24656227) is 4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
The InChIKey is CWWRISQIBNWPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4NO2S/c1-7-6-8(14)2-5-11(7)21(19,20)18-10-4-3-9(15)12(16)13(10)17/h2-6,18H,1H3.
What are the key properties of 4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide has a molecular weight of 319.28 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide is sourced from PubChem (CID 24656227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).