6-amino-5-methyl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-sulfonamide

C14H14N6O2S — CID 167923363

IUPAC6-amino-5-methyl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(-c3ncn[nH]3)cc2)cnc1N
InChIInChI=1S/C14H14N6O2S/c1-9-6-12(7-16-13(9)15)23(21,22)20-11-4-2-10(3-5-11)14-17-8-18-19-14/h2-8,20H,1H3,(H2,15,16)(H,17,18,19)
InChIKeyQNLAZRFGEHULKB-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.56
Rot. Bonds4

About 6-amino-5-methyl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-sulfonamide

6-amino-5-methyl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-sulfonamide (PubChem CID 167923363) has the molecular formula C14H14N6O2S and a molecular weight of 330.37 g/mol. Its IUPAC name is 6-amino-5-methyl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-5-methyl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-sulfonamide
PubChem CID167923363
Molecular FormulaC14H14N6O2S
Molecular Weight330.37 g/mol
Exact Mass330.09
IUPAC Name6-amino-5-methyl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(-c3ncn[nH]3)cc2)cnc1N
InChIInChI=1S/C14H14N6O2S/c1-9-6-12(7-16-13(9)15)23(21,22)20-11-4-2-10(3-5-11)14-17-8-18-19-14/h2-8,20H,1H3,(H2,15,16)(H,17,18,19)
InChIKeyQNLAZRFGEHULKB-UHFFFAOYSA-N
XLogP1.56
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-5-methyl-N-(4-methylphenyl)pyridine-3-sulfonamide
CID 98020919
6-amino-5-methyl-N-phenylpyridine-3-sulfonamide
CID 82485974
6-amino-N-ethyl-5-methylpyridine-3-sulfonamide
CID 82471323
N-[4-(1H-imidazol-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 110726562
6-amino-5-chloro-N-(4-ethylphenyl)pyridine-3-sulfonamide
CID 64608503
6-amino-N-(5-bromo-2-methylphenyl)-5-chloropyridine-3-sulfonamide
CID 64602240
2-hydrazinyl-N-(4-methylphenyl)pyrimidine-5-sulfonamide
CID 61329110
4-fluoro-3-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 110732433
4,5-dimethyl-2-nitro-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzenesulfonamide
CID 139002124
3-amino-N-(4-chlorophenyl)-4,5-dimethylbenzenesulfonamide
CID 29276916
N-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-benzodioxole-5-sulfonamide
CID 166202904
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 2348802

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-methyl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-sulfonamide?
The IUPAC name of 6-amino-5-methyl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-sulfonamide (CID 167923363) is 6-amino-5-methyl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-5-methyl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-amino-5-methyl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-sulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(-c3ncn[nH]3)cc2)cnc1N.
What is the InChIKey of 6-amino-5-methyl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-sulfonamide?
The InChIKey is QNLAZRFGEHULKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2S/c1-9-6-12(7-16-13(9)15)23(21,22)20-11-4-2-10(3-5-11)14-17-8-18-19-14/h2-8,20H,1H3,(H2,15,16)(H,17,18,19).
What are the key properties of 6-amino-5-methyl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-sulfonamide?
6-amino-5-methyl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-sulfonamide has a molecular weight of 330.37 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-methyl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 167923363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).