N-[2-(2,4-dimethylanilino)cyclohexyl]benzenesulfonamide

C20H26N2O2S — CID 23604880

IUPACN-[2-(2,4-dimethylanilino)cyclohexyl]benzenesulfonamide
SMILESCc1ccc(NC2CCCCC2NS(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C20H26N2O2S/c1-15-12-13-18(16(2)14-15)21-19-10-6-7-11-20(19)22-25(23,24)17-8-4-3-5-9-17/h3-5,8-9,12-14,19-22H,6-7,10-11H2,1-2H3
InChIKeyBTBPPSWHHLFXPM-UHFFFAOYSA-N
MW358.51 g/mol
LogP4.01
Rot. Bonds5

About N-[2-(2,4-dimethylanilino)cyclohexyl]benzenesulfonamide

N-[2-(2,4-dimethylanilino)cyclohexyl]benzenesulfonamide (PubChem CID 23604880) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[2-(2,4-dimethylanilino)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylanilino)cyclohexyl]benzenesulfonamide
PubChem CID23604880
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[2-(2,4-dimethylanilino)cyclohexyl]benzenesulfonamide
SMILESCc1ccc(NC2CCCCC2NS(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C20H26N2O2S/c1-15-12-13-18(16(2)14-15)21-19-10-6-7-11-20(19)22-25(23,24)17-8-4-3-5-9-17/h3-5,8-9,12-14,19-22H,6-7,10-11H2,1-2H3
InChIKeyBTBPPSWHHLFXPM-UHFFFAOYSA-N
XLogP4.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylanilino)cyclohexyl]benzenesulfonamide?
The IUPAC name of N-[2-(2,4-dimethylanilino)cyclohexyl]benzenesulfonamide (CID 23604880) is N-[2-(2,4-dimethylanilino)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(2,4-dimethylanilino)cyclohexyl]benzenesulfonamide?
The canonical SMILES for N-[2-(2,4-dimethylanilino)cyclohexyl]benzenesulfonamide is Cc1ccc(NC2CCCCC2NS(=O)(=O)c2ccccc2)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethylanilino)cyclohexyl]benzenesulfonamide?
The InChIKey is BTBPPSWHHLFXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-15-12-13-18(16(2)14-15)21-19-10-6-7-11-20(19)22-25(23,24)17-8-4-3-5-9-17/h3-5,8-9,12-14,19-22H,6-7,10-11H2,1-2H3.
What are the key properties of N-[2-(2,4-dimethylanilino)cyclohexyl]benzenesulfonamide?
N-[2-(2,4-dimethylanilino)cyclohexyl]benzenesulfonamide has a molecular weight of 358.51 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylanilino)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 23604880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).