N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide

C23H22N4O4S — CID 38760567

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESCc1cc(C)n(-c2ccccc2NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)n1
InChIInChI=1S/C23H22N4O4S/c1-16-14-17(2)27(26-16)22-8-4-3-7-21(22)25-23(28)18-9-11-20(12-10-18)32(29,30)24-15-19-6-5-13-31-19/h3-14,24H,15H2,1-2H3,(H,25,28)
InChIKeyCYAYERPXJTXFGL-UHFFFAOYSA-N
MW450.52 g/mol
LogP3.81
Rot. Bonds7

About N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide

N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide (PubChem CID 38760567) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
PubChem CID38760567
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESCc1cc(C)n(-c2ccccc2NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)n1
InChIInChI=1S/C23H22N4O4S/c1-16-14-17(2)27(26-16)22-8-4-3-7-21(22)25-23(28)18-9-11-20(12-10-18)32(29,30)24-15-19-6-5-13-31-19/h3-14,24H,15H2,1-2H3,(H,25,28)
InChIKeyCYAYERPXJTXFGL-UHFFFAOYSA-N
XLogP3.81
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 37093234
N-(2-chloro-4-methylphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 4789763
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-ethylbenzamide
CID 38760630
4-(furan-2-ylmethylsulfamoyl)-N-(2-methyl-5-nitrophenyl)benzamide
CID 55347552
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 43074055
N-(3-chloro-2-fluorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9146107
4-(furan-2-ylmethylsulfamoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 18274021
N-(5-chloro-2-methoxyphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 4793263
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 43073973
N-(4-chlorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2687824
3-(diethylsulfamoyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzamide
CID 43073967
N-(3,4-difluorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9165761

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide (CID 38760567) is N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide is Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is CYAYERPXJTXFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S/c1-16-14-17(2)27(26-16)22-8-4-3-7-21(22)25-23(28)18-9-11-20(12-10-18)32(29,30)24-15-19-6-5-13-31-19/h3-14,24H,15H2,1-2H3,(H,25,28).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 450.52 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 38760567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).