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

C17H22N4O2S — CID 121334948

IUPAC4-(cyclopropylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NC2CC2)c(NCc2ccncc2)c1
InChIInChI=1S/C17H22N4O2S/c1-2-20-24(22,23)15-5-6-16(21-14-3-4-14)17(11-15)19-12-13-7-9-18-10-8-13/h5-11,14,19-21H,2-4,12H2,1H3
InChIKeyGQBAIVYPBLJKPX-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.57
Rot. Bonds8

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

4-(cyclopropylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide (PubChem CID 121334948) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide
PubChem CID121334948
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name4-(cyclopropylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NC2CC2)c(NCc2ccncc2)c1
InChIInChI=1S/C17H22N4O2S/c1-2-20-24(22,23)15-5-6-16(21-14-3-4-14)17(11-15)19-12-13-7-9-18-10-8-13/h5-11,14,19-21H,2-4,12H2,1H3
InChIKeyGQBAIVYPBLJKPX-UHFFFAOYSA-N
XLogP2.57
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(cyclopropylamino)-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-(cyclopropylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide?
The IUPAC name of 4-(cyclopropylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide (CID 121334948) is 4-(cyclopropylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 4-(cyclopropylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide is CCNS(=O)(=O)c1ccc(NC2CC2)c(NCc2ccncc2)c1.
What is the InChIKey of 4-(cyclopropylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide?
The InChIKey is GQBAIVYPBLJKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-2-20-24(22,23)15-5-6-16(21-14-3-4-14)17(11-15)19-12-13-7-9-18-10-8-13/h5-11,14,19-21H,2-4,12H2,1H3.
What are the key properties of 4-(cyclopropylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide?
4-(cyclopropylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide has a molecular weight of 346.46 g/mol, XLogP of 2.57, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 121334948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).