5-amino-2-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide

C14H17N3O2S — CID 60914924

IUPAC5-amino-2-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)NCCc1ccncc1
InChIInChI=1S/C14H17N3O2S/c1-11-2-3-13(15)10-14(11)20(18,19)17-9-6-12-4-7-16-8-5-12/h2-5,7-8,10,17H,6,9,15H2,1H3
InChIKeyULQVOHWARJGFKN-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.49
Rot. Bonds5

About 5-amino-2-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide

5-amino-2-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide (PubChem CID 60914924) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 5-amino-2-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
PubChem CID60914924
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name5-amino-2-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)NCCc1ccncc1
InChIInChI=1S/C14H17N3O2S/c1-11-2-3-13(15)10-14(11)20(18,19)17-9-6-12-4-7-16-8-5-12/h2-5,7-8,10,17H,6,9,15H2,1H3
InChIKeyULQVOHWARJGFKN-UHFFFAOYSA-N
XLogP1.49
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-2-methyl-N-(2-pyridin-4-ylethyl)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

5-amino-2-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 65206667
5-amino-2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 162727328
4-chloro-2,5-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 3747457
5-amino-2-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 54936764
5-amino-2-methyl-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 78984276
2-amino-4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 60914928
3-amino-4-fluoro-5-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 115421303
4-fluoro-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 107326770
5-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 61128181
4-amino-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide
CID 61299000
5-amino-N-[(4-ethylphenyl)methyl]-2-methylbenzenesulfonamide
CID 106899180
5-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843500

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide (CID 60914924) is 5-amino-2-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide is Cc1ccc(N)cc1S(=O)(=O)NCCc1ccncc1.
What is the InChIKey of 5-amino-2-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The InChIKey is ULQVOHWARJGFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-11-2-3-13(15)10-14(11)20(18,19)17-9-6-12-4-7-16-8-5-12/h2-5,7-8,10,17H,6,9,15H2,1H3.
What are the key properties of 5-amino-2-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
5-amino-2-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 60914924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).