5-(1-benzofuran-2-yl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid

C18H13N3O5S — CID 162670137

IUPAC5-(1-benzofuran-2-yl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)O)cc2-c2cc3ccccc3o2)cc1
InChIInChI=1S/C18H13N3O5S/c19-27(24,25)13-7-5-12(6-8-13)21-15(10-14(20-21)18(22)23)17-9-11-3-1-2-4-16(11)26-17/h1-10H,(H,22,23)(H2,19,24,25)
InChIKeyNKNOCDGADWDMTB-UHFFFAOYSA-N
MW383.39 g/mol
LogP2.63
Rot. Bonds4

About 5-(1-benzofuran-2-yl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid

5-(1-benzofuran-2-yl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid (PubChem CID 162670137) has the molecular formula C18H13N3O5S and a molecular weight of 383.39 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid
PubChem CID162670137
Molecular FormulaC18H13N3O5S
Molecular Weight383.39 g/mol
Exact Mass383.06
IUPAC Name5-(1-benzofuran-2-yl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)O)cc2-c2cc3ccccc3o2)cc1
InChIInChI=1S/C18H13N3O5S/c19-27(24,25)13-7-5-12(6-8-13)21-15(10-14(20-21)18(22)23)17-9-11-3-1-2-4-16(11)26-17/h1-10H,(H,22,23)(H2,19,24,25)
InChIKeyNKNOCDGADWDMTB-UHFFFAOYSA-N
XLogP2.63
TPSA128.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[5-(1-benzofuran-2-yl)-1-phenylpyrazole-3-carbonyl]amino]-3-phenylthiourea
CID 25156346
N-[(5-acetyl-3-phenyl-1,3,4-thiadiazol-2-ylidene)amino]-5-(1-benzofuran-2-yl)-1-phenylpyrazole-3-carboxamide
CID 74834541
4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]benzenesulfonamide
CID 100708342
4-[5-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155546386
4-(3,5-diphenylpyrazol-1-yl)benzenesulfonamide
CID 3878623
4-[3-(1-benzofuran-2-yl)pyrazol-1-yl]benzoic acid
CID 58156638
N-[(E)-(4-chloro-2-oxochromen-3-yl)methylideneamino]-5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 127051924
1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid
CID 750183
N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 744283
4-[1-(4-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-5-yl]benzenesulfonamide
CID 162668414
4-[1-(4-methoxyphenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide
CID 162670996
1-methyl-1-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]urea
CID 22315588

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-(1-benzofuran-2-yl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid (CID 162670137) is 5-(1-benzofuran-2-yl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(1-benzofuran-2-yl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid is NS(=O)(=O)c1ccc(-n2nc(C(=O)O)cc2-c2cc3ccccc3o2)cc1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid?
The InChIKey is NKNOCDGADWDMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O5S/c19-27(24,25)13-7-5-12(6-8-13)21-15(10-14(20-21)18(22)23)17-9-11-3-1-2-4-16(11)26-17/h1-10H,(H,22,23)(H2,19,24,25).
What are the key properties of 5-(1-benzofuran-2-yl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid?
5-(1-benzofuran-2-yl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid has a molecular weight of 383.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 162670137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).