2-amino-N-(pyridin-4-ylmethyl)benzenesulfonamide

C12H13N3O2S — CID 28590099

IUPAC2-amino-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)NCc1ccncc1
InChIInChI=1S/C12H13N3O2S/c13-11-3-1-2-4-12(11)18(16,17)15-9-10-5-7-14-8-6-10/h1-8,15H,9,13H2
InChIKeyOLMDRZFWGWXIMS-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.14
Rot. Bonds4

About 2-amino-N-(pyridin-4-ylmethyl)benzenesulfonamide

2-amino-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 28590099) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-amino-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID28590099
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-amino-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)NCc1ccncc1
InChIInChI=1S/C12H13N3O2S/c13-11-3-1-2-4-12(11)18(16,17)15-9-10-5-7-14-8-6-10/h1-8,15H,9,13H2
InChIKeyOLMDRZFWGWXIMS-UHFFFAOYSA-N
XLogP1.14
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 29038629
2,3-dichloro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 2127166
2-amino-N-[(4-cyanophenyl)methyl]benzenesulfonamide
CID 61128052
1-(2-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 62022430
2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine
CID 14125891
2-amino-N-benzyl-3-fluorobenzenesulfonamide
CID 62058430
3-amino-4-bromo-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 115328707
2-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 13015037
1-phenyl-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 669282
5-amino-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 82459866
2,4-dihydroxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 143109406
2-amino-N-(2-methylpropyl)benzenesulfonamide
CID 16787736

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-amino-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 28590099) is 2-amino-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-(pyridin-4-ylmethyl)benzenesulfonamide is Nc1ccccc1S(=O)(=O)NCc1ccncc1.
What is the InChIKey of 2-amino-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is OLMDRZFWGWXIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c13-11-3-1-2-4-12(11)18(16,17)15-9-10-5-7-14-8-6-10/h1-8,15H,9,13H2.
What are the key properties of 2-amino-N-(pyridin-4-ylmethyl)benzenesulfonamide?
2-amino-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 263.32 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 28590099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).