3,5-dimethyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1H-pyrazole-4-sulfonamide

C14H16N6O2S2 — CID 17472421

IUPAC3,5-dimethyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Sc2nncn2C)cc1
InChIInChI=1S/C14H16N6O2S2/c1-9-13(10(2)17-16-9)24(21,22)19-11-4-6-12(7-5-11)23-14-18-15-8-20(14)3/h4-8,19H,1-3H3,(H,16,17)
InChIKeyIUVMJZQXVSGSRD-UHFFFAOYSA-N
MW364.46 g/mol
LogP2.11
Rot. Bonds5

About 3,5-dimethyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1H-pyrazole-4-sulfonamide (PubChem CID 17472421) has the molecular formula C14H16N6O2S2 and a molecular weight of 364.46 g/mol. Its IUPAC name is 3,5-dimethyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1H-pyrazole-4-sulfonamide
PubChem CID17472421
Molecular FormulaC14H16N6O2S2
Molecular Weight364.46 g/mol
Exact Mass364.08
IUPAC Name3,5-dimethyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Sc2nncn2C)cc1
InChIInChI=1S/C14H16N6O2S2/c1-9-13(10(2)17-16-9)24(21,22)19-11-4-6-12(7-5-11)23-14-18-15-8-20(14)3/h4-8,19H,1-3H3,(H,16,17)
InChIKeyIUVMJZQXVSGSRD-UHFFFAOYSA-N
XLogP2.11
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1H-pyrazole-4-sulfonamide (CID 17472421) is 3,5-dimethyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Sc2nncn2C)cc1.
What is the InChIKey of 3,5-dimethyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is IUVMJZQXVSGSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2S2/c1-9-13(10(2)17-16-9)24(21,22)19-11-4-6-12(7-5-11)23-14-18-15-8-20(14)3/h4-8,19H,1-3H3,(H,16,17).
What are the key properties of 3,5-dimethyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 364.46 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 17472421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).