4-chloro-2,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide

C16H18ClNO2S — CID 3790089

IUPAC4-chloro-2,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2ccccc2)c(C)cc1Cl
InChIInChI=1S/C16H18ClNO2S/c1-12-11-16(13(2)10-15(12)17)21(19,20)18-9-8-14-6-4-3-5-7-14/h3-7,10-11,18H,8-9H2,1-2H3
InChIKeyAYAXWSGHBYCKTC-UHFFFAOYSA-N
MW323.84 g/mol
LogP3.48
Rot. Bonds5

About 4-chloro-2,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide

4-chloro-2,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 3790089) has the molecular formula C16H18ClNO2S and a molecular weight of 323.84 g/mol. Its IUPAC name is 4-chloro-2,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide
PubChem CID3790089
Molecular FormulaC16H18ClNO2S
Molecular Weight323.84 g/mol
Exact Mass323.07
IUPAC Name4-chloro-2,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2ccccc2)c(C)cc1Cl
InChIInChI=1S/C16H18ClNO2S/c1-12-11-16(13(2)10-15(12)17)21(19,20)18-9-8-14-6-4-3-5-7-14/h3-7,10-11,18H,8-9H2,1-2H3
InChIKeyAYAXWSGHBYCKTC-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 ≤ 500323.84
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2,5-dimethyl-N-(2-phenylethyl)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

4-chloro-N-[2-(3-chlorophenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 19680922
4-chloro-2,5-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 3747457
3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 3482248
4,5-dimethoxy-2-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 110758856
2-chloro-5-methylsulfonyl-N-(2-phenylethyl)benzenesulfonamide
CID 134043562
2-chloro-4-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 3861915
4-chloro-N-hexyl-2,5-dimethylbenzenesulfonamide
CID 19681262
N-benzyl-2-bromo-5-chloro-4-methylbenzenesulfonamide
CID 50876708
2,4-dichloro-N-[2-(furan-3-yl)ethyl]-5-methylbenzenesulfonamide
CID 90558451
2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide
CID 2439946
4-chloro-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,5-dimethylbenzenesulfonamide
CID 21091819
N,N-dibenzyl-4-chloro-2,5-dimethylbenzenesulfonamide
CID 3844822

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-2,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide (CID 3790089) is 4-chloro-2,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-2,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NCCc2ccccc2)c(C)cc1Cl.
What is the InChIKey of 4-chloro-2,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is AYAXWSGHBYCKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-12-11-16(13(2)10-15(12)17)21(19,20)18-9-8-14-6-4-3-5-7-14/h3-7,10-11,18H,8-9H2,1-2H3.
What are the key properties of 4-chloro-2,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide?
4-chloro-2,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 323.84 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 4-chloro-2,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 3790089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).