3-chloro-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide

C14H15ClN6O2S — CID 22434268

IUPAC3-chloro-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide
SMILESCCn1nc(-n2cnnc2)c(NS(=O)(=O)c2cccc(Cl)c2)c1C
InChIInChI=1S/C14H15ClN6O2S/c1-3-21-10(2)13(14(18-21)20-8-16-17-9-20)19-24(22,23)12-6-4-5-11(15)7-12/h4-9,19H,3H2,1-2H3
InChIKeyUKJAPZPSCVSBTP-UHFFFAOYSA-N
MW366.83 g/mol
LogP2.25
Rot. Bonds5

About 3-chloro-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide

3-chloro-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide (PubChem CID 22434268) has the molecular formula C14H15ClN6O2S and a molecular weight of 366.83 g/mol. Its IUPAC name is 3-chloro-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide
PubChem CID22434268
Molecular FormulaC14H15ClN6O2S
Molecular Weight366.83 g/mol
Exact Mass366.07
IUPAC Name3-chloro-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide
SMILESCCn1nc(-n2cnnc2)c(NS(=O)(=O)c2cccc(Cl)c2)c1C
InChIInChI=1S/C14H15ClN6O2S/c1-3-21-10(2)13(14(18-21)20-8-16-17-9-20)19-24(22,23)12-6-4-5-11(15)7-12/h4-9,19H,3H2,1-2H3
InChIKeyUKJAPZPSCVSBTP-UHFFFAOYSA-N
XLogP2.25
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide (CID 22434268) is 3-chloro-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide is CCn1nc(-n2cnnc2)c(NS(=O)(=O)c2cccc(Cl)c2)c1C.
What is the InChIKey of 3-chloro-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide?
The InChIKey is UKJAPZPSCVSBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6O2S/c1-3-21-10(2)13(14(18-21)20-8-16-17-9-20)19-24(22,23)12-6-4-5-11(15)7-12/h4-9,19H,3H2,1-2H3.
What are the key properties of 3-chloro-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide?
3-chloro-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide has a molecular weight of 366.83 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 22434268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).