5-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluorophenyl)-1H-pyrazole-3-carboxamide

C18H17FN4O4S — CID 46297846

IUPAC5-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluorophenyl)-1H-pyrazole-3-carboxamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(F)c3)n[nH]2)cc1
InChIInChI=1S/C18H17FN4O4S/c1-2-27-15-8-6-13(7-9-15)23-28(25,26)17-11-16(21-22-17)18(24)20-14-5-3-4-12(19)10-14/h3-11,23H,2H2,1H3,(H,20,24)(H,21,22)
InChIKeyGDTNBRDRKJAHGC-UHFFFAOYSA-N
MW404.42 g/mol
LogP3.00
Rot. Bonds7

About 5-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluorophenyl)-1H-pyrazole-3-carboxamide

5-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluorophenyl)-1H-pyrazole-3-carboxamide (PubChem CID 46297846) has the molecular formula C18H17FN4O4S and a molecular weight of 404.42 g/mol. Its IUPAC name is 5-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluorophenyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluorophenyl)-1H-pyrazole-3-carboxamide
PubChem CID46297846
Molecular FormulaC18H17FN4O4S
Molecular Weight404.42 g/mol
Exact Mass404.10
IUPAC Name5-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluorophenyl)-1H-pyrazole-3-carboxamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(F)c3)n[nH]2)cc1
InChIInChI=1S/C18H17FN4O4S/c1-2-27-15-8-6-13(7-9-15)23-28(25,26)17-11-16(21-22-17)18(24)20-14-5-3-4-12(19)10-14/h3-11,23H,2H2,1H3,(H,20,24)(H,21,22)
InChIKeyGDTNBRDRKJAHGC-UHFFFAOYSA-N
XLogP3.00
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-5-[(4-ethoxyphenyl)sulfamoyl]-1H-pyrazole-3-carboxamide
CID 46297845
N-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrazole-5-sulfonamide
CID 46297860
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
2-(4-ethoxyanilino)-N-(3-fluorophenyl)acetamide
CID 28569623
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-fluorophenyl)acetamide
CID 126393495
N-(3-fluorophenyl)-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115538
2-(4-ethoxyphenyl)-N-(3-fluorophenyl)acetamide
CID 26579486
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537872
N-(3-fluorophenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26579550
N-(4-ethoxyphenyl)-3-[[(4-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 22109353
N-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26561579

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluorophenyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluorophenyl)-1H-pyrazole-3-carboxamide (CID 46297846) is 5-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluorophenyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluorophenyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluorophenyl)-1H-pyrazole-3-carboxamide is CCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(F)c3)n[nH]2)cc1.
What is the InChIKey of 5-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluorophenyl)-1H-pyrazole-3-carboxamide?
The InChIKey is GDTNBRDRKJAHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O4S/c1-2-27-15-8-6-13(7-9-15)23-28(25,26)17-11-16(21-22-17)18(24)20-14-5-3-4-12(19)10-14/h3-11,23H,2H2,1H3,(H,20,24)(H,21,22).
What are the key properties of 5-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluorophenyl)-1H-pyrazole-3-carboxamide?
5-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluorophenyl)-1H-pyrazole-3-carboxamide has a molecular weight of 404.42 g/mol, XLogP of 3.00, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluorophenyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 46297846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).