N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide

C21H18N4O4S — CID 17430765

IUPACN-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C21H18N4O4S/c26-21(20-13-19(24-25-20)15-5-2-1-3-6-15)23-16-8-10-18(11-9-16)30(27,28)22-14-17-7-4-12-29-17/h1-13,22H,14H2,(H,23,26)(H,24,25)
InChIKeyXRJGYJJWXFDOCI-UHFFFAOYSA-N
MW422.47 g/mol
LogP3.40
Rot. Bonds7

About N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 17430765) has the molecular formula C21H18N4O4S and a molecular weight of 422.47 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID17430765
Molecular FormulaC21H18N4O4S
Molecular Weight422.47 g/mol
Exact Mass422.10
IUPAC NameN-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C21H18N4O4S/c26-21(20-13-19(24-25-20)15-5-2-1-3-6-15)23-16-8-10-18(11-9-16)30(27,28)22-14-17-7-4-12-29-17/h1-13,22H,14H2,(H,23,26)(H,24,25)
InChIKeyXRJGYJJWXFDOCI-UHFFFAOYSA-N
XLogP3.40
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 2422470
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CID 2687824
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(4-phenylphenoxy)acetamide
CID 17106098
4-(furan-2-ylmethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 17404485
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-phenoxyacetamide
CID 652012
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911419
N-(3,4-difluorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9165761
4-fluoro-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17171054
N-(4-acetamidophenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 26273244
N-[4-(benzylsulfamoyl)phenyl]furan-2-carboxamide
CID 1315512
[4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea
CID 169358880
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]benzamide
CID 30873494

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 17430765) is N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is XRJGYJJWXFDOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4S/c26-21(20-13-19(24-25-20)15-5-2-1-3-6-15)23-16-8-10-18(11-9-16)30(27,28)22-14-17-7-4-12-29-17/h1-13,22H,14H2,(H,23,26)(H,24,25).
What are the key properties of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 422.47 g/mol, XLogP of 3.40, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 17430765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).