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

C21H17ClN4O4S — CID 55786624

IUPAC1-(4-chlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H17ClN4O4S/c22-16-6-8-18(9-7-16)26-14-15(12-23-26)21(27)25-17-3-1-5-20(11-17)31(28,29)24-13-19-4-2-10-30-19/h1-12,14,24H,13H2,(H,25,27)
InChIKeyXHCOCAGXKHPXFI-UHFFFAOYSA-N
MW456.91 g/mol
LogP3.85
Rot. Bonds7

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

1-(4-chlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pyrazole-4-carboxamide (PubChem CID 55786624) has the molecular formula C21H17ClN4O4S and a molecular weight of 456.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pyrazole-4-carboxamide
PubChem CID55786624
Molecular FormulaC21H17ClN4O4S
Molecular Weight456.91 g/mol
Exact Mass456.07
IUPAC Name1-(4-chlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H17ClN4O4S/c22-16-6-8-18(9-7-16)26-14-15(12-23-26)21(27)25-17-3-1-5-20(11-17)31(28,29)24-13-19-4-2-10-30-19/h1-12,14,24H,13H2,(H,25,27)
InChIKeyXHCOCAGXKHPXFI-UHFFFAOYSA-N
XLogP3.85
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.91
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
CID 29202603
N-(4-chlorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2687824
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide
CID 24639746
3-(furan-2-ylmethylsulfamoyl)-N-(3-pyrrol-1-ylphenyl)benzamide
CID 55728535
5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,1-benzothiazole-3-carboxamide
CID 4071248
1-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide
CID 50772791
2-chloro-N-(4-chlorophenyl)-5-(furan-2-ylmethylsulfamoyl)benzamide
CID 25036124
1-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 20931902
2-(3,4-dichlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 34858380
N-[3-(cyclopropylsulfamoyl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 24584102
4-(furan-2-ylmethylsulfamoyl)-N-(3-pyrrol-1-ylphenyl)benzamide
CID 55567977
3-chloro-N-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 18892761

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pyrazole-4-carboxamide (CID 55786624) is 1-(4-chlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pyrazole-4-carboxamide is O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cnn(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is XHCOCAGXKHPXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O4S/c22-16-6-8-18(9-7-16)26-14-15(12-23-26)21(27)25-17-3-1-5-20(11-17)31(28,29)24-13-19-4-2-10-30-19/h1-12,14,24H,13H2,(H,25,27).
What are the key properties of 1-(4-chlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 456.91 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55786624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).