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

C12H13N3O2S — CID 55201115

IUPAC3-amino-N-(4-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ccncc1NS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C12H13N3O2S/c1-9-5-6-14-8-12(9)15-18(16,17)11-4-2-3-10(13)7-11/h2-8,15H,13H2,1H3
InChIKeyXYFGUSFHZNGGLG-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.77
Rot. Bonds3

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

3-amino-N-(4-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 55201115) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-amino-N-(4-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(4-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID55201115
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name3-amino-N-(4-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ccncc1NS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C12H13N3O2S/c1-9-5-6-14-8-12(9)15-18(16,17)11-4-2-3-10(13)7-11/h2-8,15H,13H2,1H3
InChIKeyXYFGUSFHZNGGLG-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

3-amino-5-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329939
3-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106063067
3-amino-4-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201502
4-amino-3-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 115330084
4-(aminomethyl)-3-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106919393
4-amino-2-fluoro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201311
N-(4-amino-2-methylphenyl)pyridine-3-sulfonamide
CID 24696951
6-amino-5-chloro-N-(4-methyl-3-pyridinyl)pyridine-3-sulfonamide
CID 64601518
2-amino-4,5-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329850
3-amino-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
CID 65488884
3-(aminomethyl)-4-ethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106063140
3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 16790210

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-amino-N-(4-methyl-3-pyridinyl)benzenesulfonamide (CID 55201115) is 3-amino-N-(4-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-(4-methyl-3-pyridinyl)benzenesulfonamide is Cc1ccncc1NS(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is XYFGUSFHZNGGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-9-5-6-14-8-12(9)15-18(16,17)11-4-2-3-10(13)7-11/h2-8,15H,13H2,1H3.
What are the key properties of 3-amino-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
3-amino-N-(4-methyl-3-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 3-amino-N-(4-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 55201115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).