N-(2,5-dimethylphenyl)benzenesulfonamide

C14H15NO2S — CID 577858

IUPACN-(2,5-dimethylphenyl)benzenesulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C14H15NO2S/c1-11-8-9-12(2)14(10-11)15-18(16,17)13-6-4-3-5-7-13/h3-10,15H,1-2H3
InChIKeyFJVBKKOFCJBFMB-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.10
Rot. Bonds3

About N-(2,5-dimethylphenyl)benzenesulfonamide

N-(2,5-dimethylphenyl)benzenesulfonamide (PubChem CID 577858) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)benzenesulfonamide
PubChem CID577858
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC NameN-(2,5-dimethylphenyl)benzenesulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C14H15NO2S/c1-11-8-9-12(2)14(10-11)15-18(16,17)13-6-4-3-5-7-13/h3-10,15H,1-2H3
InChIKeyFJVBKKOFCJBFMB-UHFFFAOYSA-N
XLogP3.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)benzenesulfonamide?
The IUPAC name of N-(2,5-dimethylphenyl)benzenesulfonamide (CID 577858) is N-(2,5-dimethylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)benzenesulfonamide?
The canonical SMILES for N-(2,5-dimethylphenyl)benzenesulfonamide is Cc1ccc(C)c(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)benzenesulfonamide?
The InChIKey is FJVBKKOFCJBFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-11-8-9-12(2)14(10-11)15-18(16,17)13-6-4-3-5-7-13/h3-10,15H,1-2H3.
What are the key properties of N-(2,5-dimethylphenyl)benzenesulfonamide?
N-(2,5-dimethylphenyl)benzenesulfonamide has a molecular weight of 261.35 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 577858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).