2,5-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzenesulfonamide

C16H17Cl2NO2S — CID 22201049

IUPAC2,5-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c1
InChIInChI=1S/C16H17Cl2NO2S/c1-10-4-6-14(11(2)8-10)12(3)19-22(20,21)16-9-13(17)5-7-15(16)18/h4-9,12,19H,1-3H3
InChIKeyGVWJBJAAIKTVNO-UHFFFAOYSA-N
MW358.29 g/mol
LogP4.65
Rot. Bonds4

About 2,5-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzenesulfonamide

2,5-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzenesulfonamide (PubChem CID 22201049) has the molecular formula C16H17Cl2NO2S and a molecular weight of 358.29 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
PubChem CID22201049
Molecular FormulaC16H17Cl2NO2S
Molecular Weight358.29 g/mol
Exact Mass357.04
IUPAC Name2,5-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c1
InChIInChI=1S/C16H17Cl2NO2S/c1-10-4-6-14(11(2)8-10)12(3)19-22(20,21)16-9-13(17)5-7-15(16)18/h4-9,12,19H,1-3H3
InChIKeyGVWJBJAAIKTVNO-UHFFFAOYSA-N
XLogP4.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.29
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[1-(2,4-dimethylphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 133201694
2,5-dichloro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201161
2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 5140094
2,3-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 43907923
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 100694924
N'-(2,5-dichlorophenyl)sulfonyl-2,5-dimethylbenzenesulfonohydrazide
CID 8523597
N-[1-(2,4-dichlorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 43105207
2-amino-5-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 61105076
3-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 92675602
2,5-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 94015794
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955
2,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43105982

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzenesulfonamide (CID 22201049) is 2,5-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzenesulfonamide is Cc1ccc(C(C)NS(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c1.
What is the InChIKey of 2,5-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzenesulfonamide?
The InChIKey is GVWJBJAAIKTVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2S/c1-10-4-6-14(11(2)8-10)12(3)19-22(20,21)16-9-13(17)5-7-15(16)18/h4-9,12,19H,1-3H3.
What are the key properties of 2,5-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzenesulfonamide?
2,5-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzenesulfonamide has a molecular weight of 358.29 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 22201049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).