N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide

C14H14ClNO2S — CID 3370012

IUPACN-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
SMILESCc1cc(Cl)cc(C)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H14ClNO2S/c1-10-8-12(15)9-11(2)14(10)16-19(17,18)13-6-4-3-5-7-13/h3-9,16H,1-2H3
InChIKeySSPSNKPHBNTNOT-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.76
Rot. Bonds3

About N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide

N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide (PubChem CID 3370012) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
PubChem CID3370012
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC NameN-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
SMILESCc1cc(Cl)cc(C)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H14ClNO2S/c1-10-8-12(15)9-11(2)14(10)16-19(17,18)13-6-4-3-5-7-13/h3-9,16H,1-2H3
InChIKeySSPSNKPHBNTNOT-UHFFFAOYSA-N
XLogP3.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 4600723
3-bromo-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 134247443
N-[4-(benzenesulfonamido)-3-methylnaphthalen-1-yl]benzenesulfonamide
CID 518129
2-(benzenesulfonamido)-3,5-dichlorobenzoic acid
CID 43235236
4-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 3637891
N-(2,6-dibromo-4-methylphenyl)benzenesulfonamide
CID 60640316
N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 113443382
N-(3-bromo-4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide
CID 1186102
N-[2,3,4,5-tetrafluoro-6-(4-fluoro-3-methylphenyl)phenyl]benzenesulfonamide
CID 23217439
3-chloro-N-(2-methylphenyl)benzenesulfonamide
CID 26952259
3-(benzenesulfonamido)-N-(3-chlorophenyl)-4-methylthiophene-2-carboxamide
CID 70129893
4-chloro-N-phenylbenzenesulfonamide;ethane
CID 91229233

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide?
The IUPAC name of N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide (CID 3370012) is N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide?
The canonical SMILES for N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide is Cc1cc(Cl)cc(C)c1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide?
The InChIKey is SSPSNKPHBNTNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-10-8-12(15)9-11(2)14(10)16-19(17,18)13-6-4-3-5-7-13/h3-9,16H,1-2H3.
What are the key properties of N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide?
N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide has a molecular weight of 295.79 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 3370012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).