N-(4-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide

C13H17N3O3S — CID 22774219

IUPACN-(4-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cnn(C)c2C)cc1
InChIInChI=1S/C13H17N3O3S/c1-4-19-12-7-5-11(6-8-12)15-20(17,18)13-9-14-16(3)10(13)2/h5-9,15H,4H2,1-3H3
InChIKeyPSFZZLFVVXRJSF-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.93
Rot. Bonds5

About N-(4-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide

N-(4-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 22774219) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID22774219
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(4-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cnn(C)c2C)cc1
InChIInChI=1S/C13H17N3O3S/c1-4-19-12-7-5-11(6-8-12)15-20(17,18)13-9-14-16(3)10(13)2/h5-9,15H,4H2,1-3H3
InChIKeyPSFZZLFVVXRJSF-UHFFFAOYSA-N
XLogP1.93
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-dimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide
CID 17375979
1,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
CID 22203300
N-(1,5-dimethylpyrazol-4-yl)-4-ethoxybenzenesulfonamide
CID 22209123
5-amino-N-(4-ethoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60810401
5-tert-butyl-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 7938594
1,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-sulfonamide
CID 22203361
1-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
CID 6465265
N-(2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22773725
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
5-amino-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 3310244
1,5-dimethyl-N-[4-(2-nitrophenyl)phenyl]pyrazole-4-sulfonamide
CID 22203774
2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide
CID 106593695

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide (CID 22774219) is N-(4-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide is CCOc1ccc(NS(=O)(=O)c2cnn(C)c2C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is PSFZZLFVVXRJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-4-19-12-7-5-11(6-8-12)15-20(17,18)13-9-14-16(3)10(13)2/h5-9,15H,4H2,1-3H3.
What are the key properties of N-(4-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide?
N-(4-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 22774219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).