4-methyl-N-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)benzenesulfonamide

C20H17N5O2S — CID 10596607

IUPAC4-methyl-N-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nnc(-c3ccccn3)n2-c2ccccc2)cc1
InChIInChI=1S/C20H17N5O2S/c1-15-10-12-17(13-11-15)28(26,27)24-20-23-22-19(18-9-5-6-14-21-18)25(20)16-7-3-2-4-8-16/h2-14H,1H3,(H,23,24)
InChIKeySDJIGSPIXZIXFF-UHFFFAOYSA-N
MW391.46 g/mol
LogP3.44
Rot. Bonds5

About 4-methyl-N-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)benzenesulfonamide

4-methyl-N-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)benzenesulfonamide (PubChem CID 10596607) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is 4-methyl-N-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)benzenesulfonamide
PubChem CID10596607
Molecular FormulaC20H17N5O2S
Molecular Weight391.46 g/mol
Exact Mass391.11
IUPAC Name4-methyl-N-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nnc(-c3ccccn3)n2-c2ccccc2)cc1
InChIInChI=1S/C20H17N5O2S/c1-15-10-12-17(13-11-15)28(26,27)24-20-23-22-19(18-9-5-6-14-21-18)25(20)16-7-3-2-4-8-16/h2-14H,1H3,(H,23,24)
InChIKeySDJIGSPIXZIXFF-UHFFFAOYSA-N
XLogP3.44
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-(1-phenylimidazol-2-yl)benzenesulfonamide
CID 10519258
4-methyl-N-(4-pyridin-2-ylphenyl)benzenesulfonamide
CID 169370373
4-methyl-N-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)benzenesulfonamide
CID 3513839
4-methyl-N-(6-oxo-1,4,5-triphenylpyrimidin-2-yl)benzenesulfonamide
CID 15364860
4-methylbenzenesulfonic acid;2-pyridin-2-ylpyridine
CID 118437639
4-phenyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873652
4-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 91968264
4-iodo-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 43971723
4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 121112921
4-methyl-N-(1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide
CID 71481878
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
4-methyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784217

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)benzenesulfonamide (CID 10596607) is 4-methyl-N-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nnc(-c3ccccn3)n2-c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)benzenesulfonamide?
The InChIKey is SDJIGSPIXZIXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c1-15-10-12-17(13-11-15)28(26,27)24-20-23-22-19(18-9-5-6-14-21-18)25(20)16-7-3-2-4-8-16/h2-14H,1H3,(H,23,24).
What are the key properties of 4-methyl-N-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)benzenesulfonamide?
4-methyl-N-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)benzenesulfonamide has a molecular weight of 391.46 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 10596607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).