5-chloro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide

C13H9ClF3NO2S — CID 38888748

IUPAC5-chloro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H9ClF3NO2S/c1-7-2-3-8(14)6-11(7)21(19,20)18-10-5-4-9(15)12(16)13(10)17/h2-6,18H,1H3
InChIKeyDIDQWSYGVDOTFF-UHFFFAOYSA-N
MW335.73 g/mol
LogP3.87
Rot. Bonds3

About 5-chloro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide

5-chloro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide (PubChem CID 38888748) has the molecular formula C13H9ClF3NO2S and a molecular weight of 335.73 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
PubChem CID38888748
Molecular FormulaC13H9ClF3NO2S
Molecular Weight335.73 g/mol
Exact Mass335.00
IUPAC Name5-chloro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H9ClF3NO2S/c1-7-2-3-8(14)6-11(7)21(19,20)18-10-5-4-9(15)12(16)13(10)17/h2-6,18H,1H3
InChIKeyDIDQWSYGVDOTFF-UHFFFAOYSA-N
XLogP3.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.73
LogP ≤ 53.87
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

5-chloro-N-(3-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide
CID 38890087
N-(5-amino-2-fluorophenyl)-5-chloro-2-methylbenzenesulfonamide
CID 43604944
2,4-dimethyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 8500544
4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 24656227
5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 28537891
N-(3-amino-2,4-dimethylphenyl)-4-chloro-2-fluorobenzenesulfonamide
CID 60973193
2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 9235627
N-(5-chloro-2-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43344384
2,3-dichloro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 2093570
5-bromo-N-(2,3-difluorophenyl)-2-methylbenzenesulfonamide
CID 47336995
3-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide
CID 55603621
5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide
CID 60661381

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide (CID 38888748) is 5-chloro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 5-chloro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
The InChIKey is DIDQWSYGVDOTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO2S/c1-7-2-3-8(14)6-11(7)21(19,20)18-10-5-4-9(15)12(16)13(10)17/h2-6,18H,1H3.
What are the key properties of 5-chloro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
5-chloro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide has a molecular weight of 335.73 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide is sourced from PubChem (CID 38888748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).