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

C19H26N4O2S — CID 121334951

IUPAC4-(cyclohexylamino)-N-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2CCCCC2)c(NCc2ccncc2)c1
InChIInChI=1S/C19H26N4O2S/c1-20-26(24,25)17-7-8-18(23-16-5-3-2-4-6-16)19(13-17)22-14-15-9-11-21-12-10-15/h7-13,16,20,22-23H,2-6,14H2,1H3
InChIKeyPQDUOWQLUAYZQB-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.35
Rot. Bonds7

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

4-(cyclohexylamino)-N-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide (PubChem CID 121334951) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-(cyclohexylamino)-N-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-N-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide
PubChem CID121334951
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name4-(cyclohexylamino)-N-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2CCCCC2)c(NCc2ccncc2)c1
InChIInChI=1S/C19H26N4O2S/c1-20-26(24,25)17-7-8-18(23-16-5-3-2-4-6-16)19(13-17)22-14-15-9-11-21-12-10-15/h7-13,16,20,22-23H,2-6,14H2,1H3
InChIKeyPQDUOWQLUAYZQB-UHFFFAOYSA-N
XLogP3.35
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(cyclohexylamino)-N-methyl-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-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide?
The IUPAC name of 4-(cyclohexylamino)-N-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide (CID 121334951) is 4-(cyclohexylamino)-N-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 4-(cyclohexylamino)-N-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 4-(cyclohexylamino)-N-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide is CNS(=O)(=O)c1ccc(NC2CCCCC2)c(NCc2ccncc2)c1.
What is the InChIKey of 4-(cyclohexylamino)-N-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide?
The InChIKey is PQDUOWQLUAYZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-20-26(24,25)17-7-8-18(23-16-5-3-2-4-6-16)19(13-17)22-14-15-9-11-21-12-10-15/h7-13,16,20,22-23H,2-6,14H2,1H3.
What are the key properties of 4-(cyclohexylamino)-N-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide?
4-(cyclohexylamino)-N-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide has a molecular weight of 374.51 g/mol, XLogP of 3.35, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-N-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 121334951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).