2-amino-N-methyl-4-(2-pyridin-3-ylethylamino)benzenesulfonamide

C14H18N4O2S — CID 80641958

IUPAC2-amino-N-methyl-4-(2-pyridin-3-ylethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCc2cccnc2)cc1N
InChIInChI=1S/C14H18N4O2S/c1-16-21(19,20)14-5-4-12(9-13(14)15)18-8-6-11-3-2-7-17-10-11/h2-5,7,9-10,16,18H,6,8,15H2,1H3
InChIKeyRUNKYBFRMSRDHH-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.23
Rot. Bonds6

About 2-amino-N-methyl-4-(2-pyridin-3-ylethylamino)benzenesulfonamide

2-amino-N-methyl-4-(2-pyridin-3-ylethylamino)benzenesulfonamide (PubChem CID 80641958) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-amino-N-methyl-4-(2-pyridin-3-ylethylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-4-(2-pyridin-3-ylethylamino)benzenesulfonamide
PubChem CID80641958
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name2-amino-N-methyl-4-(2-pyridin-3-ylethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCc2cccnc2)cc1N
InChIInChI=1S/C14H18N4O2S/c1-16-21(19,20)14-5-4-12(9-13(14)15)18-8-6-11-3-2-7-17-10-11/h2-5,7,9-10,16,18H,6,8,15H2,1H3
InChIKeyRUNKYBFRMSRDHH-UHFFFAOYSA-N
XLogP1.23
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-N-methyl-4-(2-pyridin-3-ylethylamino)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-amino-N-methyl-4-(pyridin-3-ylmethylamino)benzenesulfonamide
CID 80645584
2-amino-N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenesulfonamide
CID 80641227
2-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzenesulfonamide
CID 80641118
2-amino-N-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]benzenesulfonamide
CID 80642729
2-amino-N-methyl-4-(2-sulfamoylethylamino)benzenesulfonamide
CID 80645656
2-amino-4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 80645934
2-amino-N-methyl-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzenesulfonamide
CID 106393801
3,4-dichloro-N-(2-pyridin-3-ylethyl)aniline
CID 63265162
2-amino-N-methyl-4-(octylamino)benzenesulfonamide
CID 115566200
2-amino-5-bromo-4-fluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 106491482
2-[3-amino-4-(methylsulfamoyl)anilino]ethyl carbamate
CID 83202387
2-amino-4-(4-methoxybutylamino)-N-methylbenzenesulfonamide
CID 80646158

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-4-(2-pyridin-3-ylethylamino)benzenesulfonamide?
The IUPAC name of 2-amino-N-methyl-4-(2-pyridin-3-ylethylamino)benzenesulfonamide (CID 80641958) is 2-amino-N-methyl-4-(2-pyridin-3-ylethylamino)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-methyl-4-(2-pyridin-3-ylethylamino)benzenesulfonamide?
The canonical SMILES for 2-amino-N-methyl-4-(2-pyridin-3-ylethylamino)benzenesulfonamide is CNS(=O)(=O)c1ccc(NCCc2cccnc2)cc1N.
What is the InChIKey of 2-amino-N-methyl-4-(2-pyridin-3-ylethylamino)benzenesulfonamide?
The InChIKey is RUNKYBFRMSRDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-16-21(19,20)14-5-4-12(9-13(14)15)18-8-6-11-3-2-7-17-10-11/h2-5,7,9-10,16,18H,6,8,15H2,1H3.
What are the key properties of 2-amino-N-methyl-4-(2-pyridin-3-ylethylamino)benzenesulfonamide?
2-amino-N-methyl-4-(2-pyridin-3-ylethylamino)benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-4-(2-pyridin-3-ylethylamino)benzenesulfonamide is sourced from PubChem (CID 80641958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).