5-amino-N-(4-ethoxyphenyl)-1H-pyrazole-4-sulfonamide

C11H14N4O3S — CID 60810401

IUPAC5-amino-N-(4-ethoxyphenyl)-1H-pyrazole-4-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cn[nH]c2N)cc1
InChIInChI=1S/C11H14N4O3S/c1-2-18-9-5-3-8(4-6-9)15-19(16,17)10-7-13-14-11(10)12/h3-7,15H,2H2,1H3,(H3,12,13,14)
InChIKeyVIMJPYVBRJICSR-UHFFFAOYSA-N
MW282.33 g/mol
LogP1.19
Rot. Bonds5

About 5-amino-N-(4-ethoxyphenyl)-1H-pyrazole-4-sulfonamide

5-amino-N-(4-ethoxyphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60810401) has the molecular formula C11H14N4O3S and a molecular weight of 282.33 g/mol. Its IUPAC name is 5-amino-N-(4-ethoxyphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(4-ethoxyphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID60810401
Molecular FormulaC11H14N4O3S
Molecular Weight282.33 g/mol
Exact Mass282.08
IUPAC Name5-amino-N-(4-ethoxyphenyl)-1H-pyrazole-4-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cn[nH]c2N)cc1
InChIInChI=1S/C11H14N4O3S/c1-2-18-9-5-3-8(4-6-9)15-19(16,17)10-7-13-14-11(10)12/h3-7,15H,2H2,1H3,(H3,12,13,14)
InChIKeyVIMJPYVBRJICSR-UHFFFAOYSA-N
XLogP1.19
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(4-chlorophenyl)-1H-pyrazole-4-sulfonamide
CID 60812866
5-amino-N-phenyl-1H-pyrazole-4-sulfonamide
CID 60812703
N-(4-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22774219
5-amino-N-[4-(cyanomethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 55056893
5-amino-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 3310244
2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide
CID 106593695
5-amino-N-(3,5-dimethylphenyl)-1H-pyrazole-4-sulfonamide
CID 60815176
5-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 54955523
6-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide
CID 114613079
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
4-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104620964
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-ethoxyphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(4-ethoxyphenyl)-1H-pyrazole-4-sulfonamide (CID 60810401) is 5-amino-N-(4-ethoxyphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(4-ethoxyphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(4-ethoxyphenyl)-1H-pyrazole-4-sulfonamide is CCOc1ccc(NS(=O)(=O)c2cn[nH]c2N)cc1.
What is the InChIKey of 5-amino-N-(4-ethoxyphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is VIMJPYVBRJICSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-2-18-9-5-3-8(4-6-9)15-19(16,17)10-7-13-14-11(10)12/h3-7,15H,2H2,1H3,(H3,12,13,14).
What are the key properties of 5-amino-N-(4-ethoxyphenyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(4-ethoxyphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 282.33 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-ethoxyphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60810401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).