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

C16H20N6O2S — CID 22434406

IUPAC4-ethyl-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2c(-n3cnnc3)nn(CC)c2C)cc1
InChIInChI=1S/C16H20N6O2S/c1-4-13-6-8-14(9-7-13)25(23,24)20-15-12(3)22(5-2)19-16(15)21-10-17-18-11-21/h6-11,20H,4-5H2,1-3H3
InChIKeyJWORUMISPCSPIY-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.16
Rot. Bonds6

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

4-ethyl-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide (PubChem CID 22434406) has the molecular formula C16H20N6O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 4-ethyl-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide
PubChem CID22434406
Molecular FormulaC16H20N6O2S
Molecular Weight360.44 g/mol
Exact Mass360.14
IUPAC Name4-ethyl-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2c(-n3cnnc3)nn(CC)c2C)cc1
InChIInChI=1S/C16H20N6O2S/c1-4-13-6-8-14(9-7-13)25(23,24)20-15-12(3)22(5-2)19-16(15)21-10-17-18-11-21/h6-11,20H,4-5H2,1-3H3
InChIKeyJWORUMISPCSPIY-UHFFFAOYSA-N
XLogP2.16
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide
CID 22434419
4-methyl-N-[5-methyl-1-propyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide
CID 22434373
3-chloro-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide
CID 22434268
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide
CID 99165832
N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-4-methylbenzamide
CID 22434280
N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-ethoxybenzenesulfonamide
CID 22201953
N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-propylbenzenesulfonamide
CID 22202905
N'-(4-ethylphenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 9235680
4-ethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 25048296
N-[1,5-dimethyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 82017342
methyl 4-[(4-chlorophenyl)sulfonylamino]-1-ethyl-3-methylpyrazole-5-carboxylate
CID 42555751
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide (CID 22434406) is 4-ethyl-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2c(-n3cnnc3)nn(CC)c2C)cc1.
What is the InChIKey of 4-ethyl-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide?
The InChIKey is JWORUMISPCSPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S/c1-4-13-6-8-14(9-7-13)25(23,24)20-15-12(3)22(5-2)19-16(15)21-10-17-18-11-21/h6-11,20H,4-5H2,1-3H3.
What are the key properties of 4-ethyl-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide?
4-ethyl-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide has a molecular weight of 360.44 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 22434406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).