N-(4-ethoxyphenyl)-3-(4-phenylpiperazine-1-carbonyl)-1H-pyrazole-5-sulfonamide

C22H25N5O4S — CID 46297855

IUPACN-(4-ethoxyphenyl)-3-(4-phenylpiperazine-1-carbonyl)-1H-pyrazole-5-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4)CC3)n[nH]2)cc1
InChIInChI=1S/C22H25N5O4S/c1-2-31-19-10-8-17(9-11-19)25-32(29,30)21-16-20(23-24-21)22(28)27-14-12-26(13-15-27)18-6-4-3-5-7-18/h3-11,16,25H,2,12-15H2,1H3,(H,23,24)
InChIKeyIEHSXVYJTDGYRS-UHFFFAOYSA-N
MW455.54 g/mol
LogP2.57
Rot. Bonds7

About N-(4-ethoxyphenyl)-3-(4-phenylpiperazine-1-carbonyl)-1H-pyrazole-5-sulfonamide

N-(4-ethoxyphenyl)-3-(4-phenylpiperazine-1-carbonyl)-1H-pyrazole-5-sulfonamide (PubChem CID 46297855) has the molecular formula C22H25N5O4S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-(4-phenylpiperazine-1-carbonyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-(4-phenylpiperazine-1-carbonyl)-1H-pyrazole-5-sulfonamide
PubChem CID46297855
Molecular FormulaC22H25N5O4S
Molecular Weight455.54 g/mol
Exact Mass455.16
IUPAC NameN-(4-ethoxyphenyl)-3-(4-phenylpiperazine-1-carbonyl)-1H-pyrazole-5-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4)CC3)n[nH]2)cc1
InChIInChI=1S/C22H25N5O4S/c1-2-31-19-10-8-17(9-11-19)25-32(29,30)21-16-20(23-24-21)22(28)27-14-12-26(13-15-27)18-6-4-3-5-7-18/h3-11,16,25H,2,12-15H2,1H3,(H,23,24)
InChIKeyIEHSXVYJTDGYRS-UHFFFAOYSA-N
XLogP2.57
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrazole-5-sulfonamide
CID 46297860
3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-sulfonamide
CID 46297865
N-(4-acetamidophenyl)-5-[(4-ethoxyphenyl)sulfamoyl]-1H-pyrazole-3-carboxamide
CID 46297845
5-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 46297846
N-(4-ethoxyphenyl)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 27255853
2-(4-ethoxyanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 17449282
6-[(4-ethoxyphenyl)sulfonylamino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
CID 146057080
(5-tert-butyl-1H-pyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110853153
N-(3,5-dimethylphenyl)-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzenesulfonamide
CID 4010850
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-ethoxybenzoate
CID 17447126
3-(azocane-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 55370420
3-(azepane-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 9314938

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-(4-phenylpiperazine-1-carbonyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-(4-phenylpiperazine-1-carbonyl)-1H-pyrazole-5-sulfonamide (CID 46297855) is N-(4-ethoxyphenyl)-3-(4-phenylpiperazine-1-carbonyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-(4-phenylpiperazine-1-carbonyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-(4-phenylpiperazine-1-carbonyl)-1H-pyrazole-5-sulfonamide is CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4)CC3)n[nH]2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-(4-phenylpiperazine-1-carbonyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is IEHSXVYJTDGYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4S/c1-2-31-19-10-8-17(9-11-19)25-32(29,30)21-16-20(23-24-21)22(28)27-14-12-26(13-15-27)18-6-4-3-5-7-18/h3-11,16,25H,2,12-15H2,1H3,(H,23,24).
What are the key properties of N-(4-ethoxyphenyl)-3-(4-phenylpiperazine-1-carbonyl)-1H-pyrazole-5-sulfonamide?
N-(4-ethoxyphenyl)-3-(4-phenylpiperazine-1-carbonyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 455.54 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-(4-phenylpiperazine-1-carbonyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 46297855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).