3-amino-5-methyl-N-pyridin-4-ylbenzenesulfonamide

C12H13N3O2S — CID 43255782

IUPAC3-amino-5-methyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2ccncc2)c1
InChIInChI=1S/C12H13N3O2S/c1-9-6-10(13)8-12(7-9)18(16,17)15-11-2-4-14-5-3-11/h2-8H,13H2,1H3,(H,14,15)
InChIKeyDTFBHMSVWXPPDA-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.77
Rot. Bonds3

About 3-amino-5-methyl-N-pyridin-4-ylbenzenesulfonamide

3-amino-5-methyl-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 43255782) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-amino-5-methyl-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-pyridin-4-ylbenzenesulfonamide
PubChem CID43255782
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name3-amino-5-methyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2ccncc2)c1
InChIInChI=1S/C12H13N3O2S/c1-9-6-10(13)8-12(7-9)18(16,17)15-11-2-4-14-5-3-11/h2-8H,13H2,1H3,(H,14,15)
InChIKeyDTFBHMSVWXPPDA-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
5-amino-2,3-dimethyl-N-pyridin-4-ylbenzenesulfonamide
CID 29040045
3-amino-5-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 43256286
3-amino-5-fluoro-4-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 116791313
3-amino-N-(4-bromo-3-fluorophenyl)-5-methylbenzenesulfonamide
CID 65437830
3-amino-N-(4-chloro-2-methylphenyl)-5-methylbenzenesulfonamide
CID 43256506
3-amino-N-(3-ethynylphenyl)-5-methylbenzenesulfonamide
CID 61112716
3-amino-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzenesulfonamide
CID 62902814
3-amino-5-methyl-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 43256385
3-amino-N-(2-fluoro-4-methylphenyl)-5-methylbenzenesulfonamide
CID 43256629
3-amino-N-(2-bromo-4-methylphenyl)-5-methylbenzenesulfonamide
CID 43256314
3-amino-5-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43255674

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 3-amino-5-methyl-N-pyridin-4-ylbenzenesulfonamide (CID 43255782) is 3-amino-5-methyl-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-methyl-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-methyl-N-pyridin-4-ylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)Nc2ccncc2)c1.
What is the InChIKey of 3-amino-5-methyl-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is DTFBHMSVWXPPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-9-6-10(13)8-12(7-9)18(16,17)15-11-2-4-14-5-3-11/h2-8H,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-5-methyl-N-pyridin-4-ylbenzenesulfonamide?
3-amino-5-methyl-N-pyridin-4-ylbenzenesulfonamide 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-5-methyl-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 43255782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).