3-amino-5-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide

C13H15N3O2S — CID 63329939

IUPAC3-amino-5-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2cnccc2C)c1
InChIInChI=1S/C13H15N3O2S/c1-9-5-11(14)7-12(6-9)19(17,18)16-13-8-15-4-3-10(13)2/h3-8,16H,14H2,1-2H3
InChIKeyXKPVVPLLTVGVPG-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.08
Rot. Bonds3

About 3-amino-5-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide

3-amino-5-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 63329939) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-amino-5-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID63329939
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name3-amino-5-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2cnccc2C)c1
InChIInChI=1S/C13H15N3O2S/c1-9-5-11(14)7-12(6-9)19(17,18)16-13-8-15-4-3-10(13)2/h3-8,16H,14H2,1-2H3
InChIKeyXKPVVPLLTVGVPG-UHFFFAOYSA-N
XLogP2.08
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.08
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-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201115
3-amino-5-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 43255782
N-(4-chloro-3-pyridinyl)-3,5-dimethylbenzenesulfonamide
CID 114051868
3-amino-N-(4-chloro-2-methylphenyl)-5-methylbenzenesulfonamide
CID 43256506
3-amino-N-(5-chloro-2-methylphenyl)-5-methylbenzenesulfonamide
CID 43256500
3-amino-4-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201502
3-amino-5-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667962
4-amino-3-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 115330084
5-amino-3-fluoro-2-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 79897021
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-5-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 43256286

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide (CID 63329939) is 3-amino-5-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)Nc2cnccc2C)c1.
What is the InChIKey of 3-amino-5-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is XKPVVPLLTVGVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-5-11(14)7-12(6-9)19(17,18)16-13-8-15-4-3-10(13)2/h3-8,16H,14H2,1-2H3.
What are the key properties of 3-amino-5-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
3-amino-5-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 277.35 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 63329939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).