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

C16H20N6O4S — CID 22434419

IUPACN-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide
SMILESCCn1nc(-n2cnnc2)c(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1C
InChIInChI=1S/C16H20N6O4S/c1-5-22-11(2)15(16(19-22)21-9-17-18-10-21)20-27(23,24)12-6-7-13(25-3)14(8-12)26-4/h6-10,20H,5H2,1-4H3
InChIKeyHXTBUXAWAUKGDU-UHFFFAOYSA-N
MW392.44 g/mol
LogP1.61
Rot. Bonds7

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

N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 22434419) has the molecular formula C16H20N6O4S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide
PubChem CID22434419
Molecular FormulaC16H20N6O4S
Molecular Weight392.44 g/mol
Exact Mass392.13
IUPAC NameN-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide
SMILESCCn1nc(-n2cnnc2)c(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1C
InChIInChI=1S/C16H20N6O4S/c1-5-22-11(2)15(16(19-22)21-9-17-18-10-21)20-27(23,24)12-6-7-13(25-3)14(8-12)26-4/h6-10,20H,5H2,1-4H3
InChIKeyHXTBUXAWAUKGDU-UHFFFAOYSA-N
XLogP1.61
TPSA113.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide with MolForge

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Related Compounds

4-ethyl-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide
CID 22434406
3-chloro-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide
CID 22434268
4-methyl-N-[5-methyl-1-propyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide
CID 22434373
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide
CID 22202423
N-(2-butan-2-ylpyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide
CID 56725241
N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide
CID 4828069
N-[1,5-dimethyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 82017342
N-(1-ethylbenzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide
CID 35279941
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 3801791
ethyl N-[(3,4-dimethoxyphenyl)sulfonylamino]carbamate
CID 26970116
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 22204096
N-(4-ethyl-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide
CID 2812403

Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide (CID 22434419) is N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide is CCn1nc(-n2cnnc2)c(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1C.
What is the InChIKey of N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is HXTBUXAWAUKGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O4S/c1-5-22-11(2)15(16(19-22)21-9-17-18-10-21)20-27(23,24)12-6-7-13(25-3)14(8-12)26-4/h6-10,20H,5H2,1-4H3.
What are the key properties of N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide?
N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 392.44 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 22434419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).