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

C17H19Cl2NO2S — CID 22201161

IUPAC2,5-dichloro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
SMILESCC(C)c1ccc(C(C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H19Cl2NO2S/c1-11(2)13-4-6-14(7-5-13)12(3)20-23(21,22)17-10-15(18)8-9-16(17)19/h4-12,20H,1-3H3
InChIKeyIPZBOTPXNFGXLE-UHFFFAOYSA-N
MW372.32 g/mol
LogP5.16
Rot. Bonds5

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

2,5-dichloro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide (PubChem CID 22201161) has the molecular formula C17H19Cl2NO2S and a molecular weight of 372.32 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
PubChem CID22201161
Molecular FormulaC17H19Cl2NO2S
Molecular Weight372.32 g/mol
Exact Mass371.05
IUPAC Name2,5-dichloro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
SMILESCC(C)c1ccc(C(C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H19Cl2NO2S/c1-11(2)13-4-6-14(7-5-13)12(3)20-23(21,22)17-10-15(18)8-9-16(17)19/h4-12,20H,1-3H3
InChIKeyIPZBOTPXNFGXLE-UHFFFAOYSA-N
XLogP5.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.32
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-dichloro-N-[1-(4-propan-2-ylphenyl)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

2,5-dichloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
CID 92547466
2,5-dichloro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide
CID 8814858
2,5-dichloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 45147167
N-but-3-yn-2-yl-2,5-dichlorobenzenesulfonamide
CID 114419120
2,5-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 22201049
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955
5-amino-2-chloro-N-(1-phenylethyl)benzenesulfonamide
CID 43094138
4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 60639502
2,5-dichloro-N-pentan-2-ylbenzenesulfonamide
CID 2886118
2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 788817
2,5-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 94015794
2,4-dichloro-N-[1-(4-nitrophenyl)ethyl]benzenesulfonamide
CID 3810826

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide (CID 22201161) is 2,5-dichloro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide is CC(C)c1ccc(C(C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide?
The InChIKey is IPZBOTPXNFGXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO2S/c1-11(2)13-4-6-14(7-5-13)12(3)20-23(21,22)17-10-15(18)8-9-16(17)19/h4-12,20H,1-3H3.
What are the key properties of 2,5-dichloro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide?
2,5-dichloro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide has a molecular weight of 372.32 g/mol, XLogP of 5.16, 5 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-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 22201161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).