4-(cyclohexylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide

C20H28N4O2S — CID 121334994

IUPAC4-(cyclohexylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NC2CCCCC2)c(NCc2ccncc2)c1
InChIInChI=1S/C20H28N4O2S/c1-2-23-27(25,26)18-8-9-19(24-17-6-4-3-5-7-17)20(14-18)22-15-16-10-12-21-13-11-16/h8-14,17,22-24H,2-7,15H2,1H3
InChIKeyHBTCRODOZVZLNV-UHFFFAOYSA-N
MW388.54 g/mol
LogP3.74
Rot. Bonds8

About 4-(cyclohexylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide

4-(cyclohexylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide (PubChem CID 121334994) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 4-(cyclohexylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide
PubChem CID121334994
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name4-(cyclohexylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NC2CCCCC2)c(NCc2ccncc2)c1
InChIInChI=1S/C20H28N4O2S/c1-2-23-27(25,26)18-8-9-19(24-17-6-4-3-5-7-17)20(14-18)22-15-16-10-12-21-13-11-16/h8-14,17,22-24H,2-7,15H2,1H3
InChIKeyHBTCRODOZVZLNV-UHFFFAOYSA-N
XLogP3.74
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(cyclohexylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide?
The IUPAC name of 4-(cyclohexylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide (CID 121334994) is 4-(cyclohexylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 4-(cyclohexylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 4-(cyclohexylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide is CCNS(=O)(=O)c1ccc(NC2CCCCC2)c(NCc2ccncc2)c1.
What is the InChIKey of 4-(cyclohexylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide?
The InChIKey is HBTCRODOZVZLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-2-23-27(25,26)18-8-9-19(24-17-6-4-3-5-7-17)20(14-18)22-15-16-10-12-21-13-11-16/h8-14,17,22-24H,2-7,15H2,1H3.
What are the key properties of 4-(cyclohexylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide?
4-(cyclohexylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide has a molecular weight of 388.54 g/mol, XLogP of 3.74, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 121334994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).