2-chloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide

C16H18ClNO2S — CID 3685302

IUPAC2-chloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccc(CCNS(=O)(=O)c2ccccc2Cl)c(C)c1
InChIInChI=1S/C16H18ClNO2S/c1-12-7-8-14(13(2)11-12)9-10-18-21(19,20)16-6-4-3-5-15(16)17/h3-8,11,18H,9-10H2,1-2H3
InChIKeyDGSRBVXQOPNDCB-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.48
Rot. Bonds5

About 2-chloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide

2-chloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide (PubChem CID 3685302) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is 2-chloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
PubChem CID3685302
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC Name2-chloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccc(CCNS(=O)(=O)c2ccccc2Cl)c(C)c1
InChIInChI=1S/C16H18ClNO2S/c1-12-7-8-14(13(2)11-12)9-10-18-21(19,20)16-6-4-3-5-15(16)17/h3-8,11,18H,9-10H2,1-2H3
InChIKeyDGSRBVXQOPNDCB-UHFFFAOYSA-N
XLogP3.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2,4-dimethylphenyl)ethyl]-9,10-dioxoanthracene-1-sulfonamide
CID 3787610
3,5-dichloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 3669015
N-[2-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylbenzenesulfonamide
CID 3865899
N-[2-(2,4-dimethylphenyl)ethyl]ethanesulfonamide
CID 47429985
2-chloro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 110323716
2-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 7509950
N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 113058855
2-chloro-4-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 32673521
2-chloro-N-[3-(3-methylphenoxy)propyl]benzenesulfonamide
CID 46644070
2-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide
CID 70953981
N-[(2-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 24639574
3-acetyl-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 48629818

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide (CID 3685302) is 2-chloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide is Cc1ccc(CCNS(=O)(=O)c2ccccc2Cl)c(C)c1.
What is the InChIKey of 2-chloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide?
The InChIKey is DGSRBVXQOPNDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-12-7-8-14(13(2)11-12)9-10-18-21(19,20)16-6-4-3-5-15(16)17/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of 2-chloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide?
2-chloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide has a molecular weight of 323.85 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 3685302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).