3,5-dichloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide

C16H17Cl2NO2S — CID 3669015

IUPAC3,5-dichloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccc(CCNS(=O)(=O)c2cc(Cl)cc(Cl)c2)c(C)c1
InChIInChI=1S/C16H17Cl2NO2S/c1-11-3-4-13(12(2)7-11)5-6-19-22(20,21)16-9-14(17)8-15(18)10-16/h3-4,7-10,19H,5-6H2,1-2H3
InChIKeyDFKRPIUWGYZJKL-UHFFFAOYSA-N
MW358.29 g/mol
LogP4.13
Rot. Bonds5

About 3,5-dichloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide

3,5-dichloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide (PubChem CID 3669015) has the molecular formula C16H17Cl2NO2S and a molecular weight of 358.29 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
PubChem CID3669015
Molecular FormulaC16H17Cl2NO2S
Molecular Weight358.29 g/mol
Exact Mass357.04
IUPAC Name3,5-dichloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccc(CCNS(=O)(=O)c2cc(Cl)cc(Cl)c2)c(C)c1
InChIInChI=1S/C16H17Cl2NO2S/c1-11-3-4-13(12(2)7-11)5-6-19-22(20,21)16-9-14(17)8-15(18)10-16/h3-4,7-10,19H,5-6H2,1-2H3
InChIKeyDFKRPIUWGYZJKL-UHFFFAOYSA-N
XLogP4.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.29
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 3685302
N-[2-(2,4-dimethylphenyl)ethyl]ethanesulfonamide
CID 47429985
N-[2-(2,4-dimethylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3861014
3-acetyl-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 48629818
N-[2-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylbenzenesulfonamide
CID 3865899
3,5-dichloro-N-(2-chloroethyl)benzenesulfonamide
CID 61287690
N-[2-(2,4-dimethylphenyl)ethyl]-9,10-dioxoanthracene-1-sulfonamide
CID 3787610
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3,5-dichlorobenzenesulfonamide
CID 18197812
3,5-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 3799880
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 113083697
N-[2-(2,5-dimethylphenyl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110787318
2-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide
CID 79763049

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide (CID 3669015) is 3,5-dichloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide is Cc1ccc(CCNS(=O)(=O)c2cc(Cl)cc(Cl)c2)c(C)c1.
What is the InChIKey of 3,5-dichloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide?
The InChIKey is DFKRPIUWGYZJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2S/c1-11-3-4-13(12(2)7-11)5-6-19-22(20,21)16-9-14(17)8-15(18)10-16/h3-4,7-10,19H,5-6H2,1-2H3.
What are the key properties of 3,5-dichloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide?
3,5-dichloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide has a molecular weight of 358.29 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 3669015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).