N-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrazole-5-sulfonamide

C22H24FN5O4S — CID 46297860

IUPACN-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrazole-5-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)n[nH]2)cc1
InChIInChI=1S/C22H24FN5O4S/c1-2-32-19-9-5-17(6-10-19)26-33(30,31)21-15-20(24-25-21)22(29)28-13-11-27(12-14-28)18-7-3-16(23)4-8-18/h3-10,15,26H,2,11-14H2,1H3,(H,24,25)
InChIKeyCWDIMWYXZKHUTM-UHFFFAOYSA-N
MW473.53 g/mol
LogP2.71
Rot. Bonds7

About N-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrazole-5-sulfonamide

N-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrazole-5-sulfonamide (PubChem CID 46297860) has the molecular formula C22H24FN5O4S and a molecular weight of 473.53 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrazole-5-sulfonamide
PubChem CID46297860
Molecular FormulaC22H24FN5O4S
Molecular Weight473.53 g/mol
Exact Mass473.15
IUPAC NameN-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrazole-5-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)n[nH]2)cc1
InChIInChI=1S/C22H24FN5O4S/c1-2-32-19-9-5-17(6-10-19)26-33(30,31)21-15-20(24-25-21)22(29)28-13-11-27(12-14-28)18-7-3-16(23)4-8-18/h3-10,15,26H,2,11-14H2,1H3,(H,24,25)
InChIKeyCWDIMWYXZKHUTM-UHFFFAOYSA-N
XLogP2.71
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxyphenyl)-3-(4-phenylpiperazine-1-carbonyl)-1H-pyrazole-5-sulfonamide
CID 46297855
3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-sulfonamide
CID 46297865
5-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 46297846
N-(4-acetamidophenyl)-5-[(4-ethoxyphenyl)sulfamoyl]-1H-pyrazole-3-carboxamide
CID 46297845
N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 988165
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 2441786
N-(4-fluorophenyl)-4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 55956951
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
4-ethoxy-N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 30144454
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 110673105
[5-(4-fluoroanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109193490
N-(4-ethoxyphenyl)-N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 3147852

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrazole-5-sulfonamide (CID 46297860) is N-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrazole-5-sulfonamide is CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)n[nH]2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is CWDIMWYXZKHUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O4S/c1-2-32-19-9-5-17(6-10-19)26-33(30,31)21-15-20(24-25-21)22(29)28-13-11-27(12-14-28)18-7-3-16(23)4-8-18/h3-10,15,26H,2,11-14H2,1H3,(H,24,25).
What are the key properties of N-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrazole-5-sulfonamide?
N-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 473.53 g/mol, XLogP of 2.71, 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-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 46297860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).