4-amino-N-(3-methyl-4-pyridinyl)benzenesulfonamide

C12H13N3O2S — CID 63669666

IUPAC4-amino-N-(3-methyl-4-pyridinyl)benzenesulfonamide
SMILESCc1cnccc1NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C12H13N3O2S/c1-9-8-14-7-6-12(9)15-18(16,17)11-4-2-10(13)3-5-11/h2-8H,13H2,1H3,(H,14,15)
InChIKeyWBUOIMVRCCSUEU-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.77
Rot. Bonds3

About 4-amino-N-(3-methyl-4-pyridinyl)benzenesulfonamide

4-amino-N-(3-methyl-4-pyridinyl)benzenesulfonamide (PubChem CID 63669666) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-amino-N-(3-methyl-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-methyl-4-pyridinyl)benzenesulfonamide
PubChem CID63669666
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name4-amino-N-(3-methyl-4-pyridinyl)benzenesulfonamide
SMILESCc1cnccc1NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C12H13N3O2S/c1-9-8-14-7-6-12(9)15-18(16,17)11-4-2-10(13)3-5-11/h2-8H,13H2,1H3,(H,14,15)
InChIKeyWBUOIMVRCCSUEU-UHFFFAOYSA-N
XLogP1.77
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.77
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-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 66524316
4-acetyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63670374
3-amino-5-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667962
4-amino-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667957
5-amino-2-chloro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667966
4-amino-2,6-difluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63669668
2-amino-N-(3-methyl-4-pyridinyl)pyridine-3-sulfonamide
CID 63672409
N-(4-amino-2-methylphenyl)pyridine-3-sulfonamide
CID 24696951
5-amino-3-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 79896756
4-(2-aminoethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63327769
3-amino-2,5-dimethyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 79889835
N-(3-amino-4-pyridinyl)-4-bromobenzenesulfonamide
CID 63063291

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(3-methyl-4-pyridinyl)benzenesulfonamide (CID 63669666) is 4-amino-N-(3-methyl-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(3-methyl-4-pyridinyl)benzenesulfonamide is Cc1cnccc1NS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
The InChIKey is WBUOIMVRCCSUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-9-8-14-7-6-12(9)15-18(16,17)11-4-2-10(13)3-5-11/h2-8H,13H2,1H3,(H,14,15).
What are the key properties of 4-amino-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
4-amino-N-(3-methyl-4-pyridinyl)benzenesulfonamide has a molecular weight of 263.32 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methyl-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 63669666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).