3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide

C15H16ClNO2S — CID 3859745

IUPAC3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H16ClNO2S/c1-3-17(13-7-5-4-6-8-13)20(18,19)14-10-9-12(2)15(16)11-14/h4-11H,3H2,1-2H3
InChIKeyMWWKOVWXCADMOS-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.86
Rot. Bonds4

About 3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide

3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide (PubChem CID 3859745) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide
PubChem CID3859745
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H16ClNO2S/c1-3-17(13-7-5-4-6-8-13)20(18,19)14-10-9-12(2)15(16)11-14/h4-11H,3H2,1-2H3
InChIKeyMWWKOVWXCADMOS-UHFFFAOYSA-N
XLogP3.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505
4-chloro-N-ethyl-3-nitro-N-phenylbenzenesulfonamide
CID 5019418
N-(3-chloro-4-methylphenyl)-N-ethyl-4-methylsulfanylbenzenesulfonamide
CID 100517948
4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide
CID 26951667
ethyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate
CID 3647141
2-chloro-4-ethylsulfonyl-1-methylbenzene
CID 21187106
N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 769001
5-chloro-N-ethyl-6-(methylamino)-N-phenylpyridine-3-sulfonamide
CID 64608514
N-ethyl-4-nitro-N-phenylbenzenesulfonamide
CID 779735
3-chloro-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 28534252
4-amino-3-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide
CID 115329455
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-pentan-3-ylbenzamide
CID 7962770

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide (CID 3859745) is 3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(C)c(Cl)c1.
What is the InChIKey of 3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide?
The InChIKey is MWWKOVWXCADMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-3-17(13-7-5-4-6-8-13)20(18,19)14-10-9-12(2)15(16)11-14/h4-11H,3H2,1-2H3.
What are the key properties of 3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide?
3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide has a molecular weight of 309.82 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 3859745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).