N-(difluoromethyl)-4-methyl-N-(2-methylphenyl)benzenesulfonamide

C15H15F2NO2S — CID 800969

IUPACN-(difluoromethyl)-4-methyl-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2ccccc2C)C(F)F)cc1
InChIInChI=1S/C15H15F2NO2S/c1-11-7-9-13(10-8-11)21(19,20)18(15(16)17)14-6-4-3-5-12(14)2/h3-10,15H,1-2H3
InChIKeyRWDJJUBXQZNQCM-UHFFFAOYSA-N
MW311.35 g/mol
LogP3.72
Rot. Bonds4

About N-(difluoromethyl)-4-methyl-N-(2-methylphenyl)benzenesulfonamide

N-(difluoromethyl)-4-methyl-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 800969) has the molecular formula C15H15F2NO2S and a molecular weight of 311.35 g/mol. Its IUPAC name is N-(difluoromethyl)-4-methyl-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(difluoromethyl)-4-methyl-N-(2-methylphenyl)benzenesulfonamide
PubChem CID800969
Molecular FormulaC15H15F2NO2S
Molecular Weight311.35 g/mol
Exact Mass311.08
IUPAC NameN-(difluoromethyl)-4-methyl-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2ccccc2C)C(F)F)cc1
InChIInChI=1S/C15H15F2NO2S/c1-11-7-9-13(10-8-11)21(19,20)18(15(16)17)14-6-4-3-5-12(14)2/h3-10,15H,1-2H3
InChIKeyRWDJJUBXQZNQCM-UHFFFAOYSA-N
XLogP3.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(difluoromethyl)-4-methyl-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of N-(difluoromethyl)-4-methyl-N-(2-methylphenyl)benzenesulfonamide (CID 800969) is N-(difluoromethyl)-4-methyl-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(difluoromethyl)-4-methyl-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-(difluoromethyl)-4-methyl-N-(2-methylphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(c2ccccc2C)C(F)F)cc1.
What is the InChIKey of N-(difluoromethyl)-4-methyl-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is RWDJJUBXQZNQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2S/c1-11-7-9-13(10-8-11)21(19,20)18(15(16)17)14-6-4-3-5-12(14)2/h3-10,15H,1-2H3.
What are the key properties of N-(difluoromethyl)-4-methyl-N-(2-methylphenyl)benzenesulfonamide?
N-(difluoromethyl)-4-methyl-N-(2-methylphenyl)benzenesulfonamide has a molecular weight of 311.35 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-4-methyl-N-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 800969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).