4-chloro-N-(2-ethylphenyl)-2,5-dimethylbenzenesulfonamide

C16H18ClNO2S — CID 22773817

IUPAC4-chloro-N-(2-ethylphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1cc(C)c(Cl)cc1C
InChIInChI=1S/C16H18ClNO2S/c1-4-13-7-5-6-8-15(13)18-21(19,20)16-10-11(2)14(17)9-12(16)3/h5-10,18H,4H2,1-3H3
InChIKeyYWNXFLOJADDYAB-UHFFFAOYSA-N
MW323.85 g/mol
LogP4.32
Rot. Bonds4

About 4-chloro-N-(2-ethylphenyl)-2,5-dimethylbenzenesulfonamide

4-chloro-N-(2-ethylphenyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 22773817) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is 4-chloro-N-(2-ethylphenyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-ethylphenyl)-2,5-dimethylbenzenesulfonamide
PubChem CID22773817
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC Name4-chloro-N-(2-ethylphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1cc(C)c(Cl)cc1C
InChIInChI=1S/C16H18ClNO2S/c1-4-13-7-5-6-8-15(13)18-21(19,20)16-10-11(2)14(17)9-12(16)3/h5-10,18H,4H2,1-3H3
InChIKeyYWNXFLOJADDYAB-UHFFFAOYSA-N
XLogP4.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(2-ethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 22774232
4-chloro-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide
CID 19684190
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide
CID 25048038
N-(2-ethylphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758931
4-chloro-N-[2-(difluoromethoxy)phenyl]-2,5-dimethylbenzenesulfonamide
CID 22206102
2-amino-4-chloro-N-(2-ethylphenyl)benzenesulfonamide
CID 28524364
2-chloro-4-cyano-N-(2-ethylphenyl)benzenesulfonamide
CID 103988511
5-amino-2-chloro-N-(2-ethylphenyl)-4-fluorobenzenesulfonamide
CID 61112458
N-[2-(chloromethyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 65031301
5-chloro-2-methyl-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606096
2-bromo-N-(2-ethylphenyl)benzenesulfonamide
CID 26949668
4-chloro-N-(4-methoxy-2-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 22202576

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-ethylphenyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-ethylphenyl)-2,5-dimethylbenzenesulfonamide (CID 22773817) is 4-chloro-N-(2-ethylphenyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-ethylphenyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-ethylphenyl)-2,5-dimethylbenzenesulfonamide is CCc1ccccc1NS(=O)(=O)c1cc(C)c(Cl)cc1C.
What is the InChIKey of 4-chloro-N-(2-ethylphenyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is YWNXFLOJADDYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-4-13-7-5-6-8-15(13)18-21(19,20)16-10-11(2)14(17)9-12(16)3/h5-10,18H,4H2,1-3H3.
What are the key properties of 4-chloro-N-(2-ethylphenyl)-2,5-dimethylbenzenesulfonamide?
4-chloro-N-(2-ethylphenyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 323.85 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-ethylphenyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 22773817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).