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

C12H13N3O2S — CID 3663787

IUPAC4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCc2ccccn2)cc1
InChIInChI=1S/C12H13N3O2S/c13-10-4-6-12(7-5-10)18(16,17)15-9-11-3-1-2-8-14-11/h1-8,15H,9,13H2
InChIKeyJVYZFCMVEWGRSN-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.14
Rot. Bonds4

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

4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 3663787) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID3663787
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCc2ccccn2)cc1
InChIInChI=1S/C12H13N3O2S/c13-10-4-6-12(7-5-10)18(16,17)15-9-11-3-1-2-8-14-11/h1-8,15H,9,13H2
InChIKeyJVYZFCMVEWGRSN-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

4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623
4-(2-aminophenyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110454351
3-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 16795667
3-amino-4-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 43257796
6-hydrazinyl-N-(pyridin-2-ylmethyl)pyridine-3-sulfonamide
CID 29267504
6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-3-sulfonamide
CID 62144545
4-(4-ethoxyphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 51169949
4-amino-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 61126991
3-amino-5-fluoro-4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 116791368
5-amino-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 29273557
silver 4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 6711387
bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
CID 18407969

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 3663787) is 4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)NCc2ccccn2)cc1.
What is the InChIKey of 4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is JVYZFCMVEWGRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c13-10-4-6-12(7-5-10)18(16,17)15-9-11-3-1-2-8-14-11/h1-8,15H,9,13H2.
What are the key properties of 4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide?
4-amino-N-(pyridin-2-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 4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 3663787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).