4-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide

C15H19N3O2S — CID 114955251

IUPAC4-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
SMILESCc1ccncc1CNS(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C15H19N3O2S/c1-12-7-9-17-10-14(12)11-18-21(19,20)15-4-2-13(3-5-15)6-8-16/h2-5,7,9-10,18H,6,8,11,16H2,1H3
InChIKeyYKPMJDCGBWNKEN-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.37
Rot. Bonds6

About 4-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide

4-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide (PubChem CID 114955251) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
PubChem CID114955251
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
SMILESCc1ccncc1CNS(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C15H19N3O2S/c1-12-7-9-17-10-14(12)11-18-21(19,20)15-4-2-13(3-5-15)6-8-16/h2-5,7,9-10,18H,6,8,11,16H2,1H3
InChIKeyYKPMJDCGBWNKEN-UHFFFAOYSA-N
XLogP1.37
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]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

4-(2-aminoethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63327769
4-(2-chloroethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114701663
6-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114957445
5,6-dichloro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114955310
6-cyano-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114956180
2-[4-[2-(4-methyl-3-pyridinyl)ethylsulfamoyl]phenyl]acetic acid
CID 166242151
4-(2-aminoethyl)-N-ethylbenzenesulfonamide
CID 16643231
4-(cyanomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114700456
4-(2-aminoethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106373743
4-amino-2-chloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954417
N-[(4-methyl-3-pyridinyl)methyl]-2,3-dihydro-1H-indole-6-sulfonamide
CID 114956766
4-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114957462

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 4-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide (CID 114955251) is 4-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide is Cc1ccncc1CNS(=O)(=O)c1ccc(CCN)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is YKPMJDCGBWNKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-12-7-9-17-10-14(12)11-18-21(19,20)15-4-2-13(3-5-15)6-8-16/h2-5,7,9-10,18H,6,8,11,16H2,1H3.
What are the key properties of 4-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide?
4-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 114955251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).