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

C12H13N3O2S — CID 16795667

IUPAC3-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)NCc2ccccn2)c1
InChIInChI=1S/C12H13N3O2S/c13-10-4-3-6-12(8-10)18(16,17)15-9-11-5-1-2-7-14-11/h1-8,15H,9,13H2
InChIKeyJJOMYVAWOOLVFU-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.14
Rot. Bonds4

About 3-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide

3-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 16795667) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID16795667
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name3-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)NCc2ccccn2)c1
InChIInChI=1S/C12H13N3O2S/c13-10-4-3-6-12(8-10)18(16,17)15-9-11-5-1-2-7-14-11/h1-8,15H,9,13H2
InChIKeyJJOMYVAWOOLVFU-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-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 3663787
3-amino-4-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 43257796
4-(2-aminophenyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110454351
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623
3-amino-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82881991
5-amino-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 29273557
3-amino-5-fluoro-4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 116791368
6-hydrazinyl-N-(pyridin-2-ylmethyl)pyridine-3-sulfonamide
CID 29267504
3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 114182887
N-(pyridin-4-ylmethyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064781
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 50808247
3-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 104868500

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 16795667) is 3-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide is Nc1cccc(S(=O)(=O)NCc2ccccn2)c1.
What is the InChIKey of 3-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is JJOMYVAWOOLVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c13-10-4-3-6-12(8-10)18(16,17)15-9-11-5-1-2-7-14-11/h1-8,15H,9,13H2.
What are the key properties of 3-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide?
3-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 3-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 16795667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).