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

C14H12F3NO2S — CID 8500544

IUPAC2,4-dimethyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2F)c(C)c1
InChIInChI=1S/C14H12F3NO2S/c1-8-3-6-12(9(2)7-8)21(19,20)18-11-5-4-10(15)13(16)14(11)17/h3-7,18H,1-2H3
InChIKeyYABZWPLYWCQSLH-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.52
Rot. Bonds3

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

2,4-dimethyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide (PubChem CID 8500544) has the molecular formula C14H12F3NO2S and a molecular weight of 315.32 g/mol. Its IUPAC name is 2,4-dimethyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
PubChem CID8500544
Molecular FormulaC14H12F3NO2S
Molecular Weight315.32 g/mol
Exact Mass315.05
IUPAC Name2,4-dimethyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2F)c(C)c1
InChIInChI=1S/C14H12F3NO2S/c1-8-3-6-12(9(2)7-8)21(19,20)18-11-5-4-10(15)13(16)14(11)17/h3-7,18H,1-2H3
InChIKeyYABZWPLYWCQSLH-UHFFFAOYSA-N
XLogP3.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.52
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

4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 24656227
5-chloro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 38888748
N-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 43120010
N-(2-fluoro-5-nitrophenyl)-2,4-dimethylbenzenesulfonamide
CID 22774503
N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 82757244
2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 9235627
4-chloro-N-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide
CID 47308842
N-(5-amino-2-bromo-4-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 104814670
4-(aminomethyl)-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 106996652
N-(5-chloro-4-fluoro-2-hydroxyphenyl)-2,4-dimethylbenzenesulfonamide
CID 82722720
2-(methylamino)-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 62149736
N-(3-amino-2,4-difluorophenyl)-3-fluoro-2,4-dimethylbenzenesulfonamide
CID 171763125

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide (CID 8500544) is 2,4-dimethyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2F)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
The InChIKey is YABZWPLYWCQSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2S/c1-8-3-6-12(9(2)7-8)21(19,20)18-11-5-4-10(15)13(16)14(11)17/h3-7,18H,1-2H3.
What are the key properties of 2,4-dimethyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
2,4-dimethyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide has a molecular weight of 315.32 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide is sourced from PubChem (CID 8500544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).