2-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide

C15H16ClNO2S — CID 70953981

IUPAC2-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1C
InChIInChI=1S/C15H16ClNO2S/c1-3-12-8-9-13(10-11(12)2)17-20(18,19)15-7-5-4-6-14(15)16/h4-10,17H,3H2,1-2H3
InChIKeyZWURANJJCGJHLF-UHFFFAOYSA-N
MW309.82 g/mol
LogP4.01
Rot. Bonds4

About 2-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide

2-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide (PubChem CID 70953981) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide
PubChem CID70953981
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name2-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1C
InChIInChI=1S/C15H16ClNO2S/c1-3-12-8-9-13(10-11(12)2)17-20(18,19)15-7-5-4-6-14(15)16/h4-10,17H,3H2,1-2H3
InChIKeyZWURANJJCGJHLF-UHFFFAOYSA-N
XLogP4.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide
CID 71013468
N-[4-[2-[2-[(4-aminocyclohexyl)amino]pyrimidin-5-yl]ethyl]-3-methylphenyl]-2-chlorobenzenesulfonamide
CID 147822717
N-(3-aminophenyl)-2-chlorobenzenesulfonamide
CID 39382570
2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]acetate
CID 7042231
2-chloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727391
N-[3-(aminomethyl)phenyl]-2-chlorobenzenesulfonamide
CID 63254779
2-chloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 3685302
N-(4-chloro-3-nitrophenyl)-2-ethylbenzenesulfonamide
CID 19887945
2-chloro-N-[4-(2-chloroethyl)phenyl]benzenesulfonamide
CID 65031108
2-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 50796598
N-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965668
2-chloro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 113098760

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide (CID 70953981) is 2-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide is CCc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1C.
What is the InChIKey of 2-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide?
The InChIKey is ZWURANJJCGJHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-3-12-8-9-13(10-11(12)2)17-20(18,19)15-7-5-4-6-14(15)16/h4-10,17H,3H2,1-2H3.
What are the key properties of 2-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide?
2-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide has a molecular weight of 309.82 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 70953981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).