N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide

C22H24N4O3S — CID 30177201

IUPACN-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cc1
InChIInChI=1S/C22H24N4O3S/c1-15(2)25-30(28,29)18-13-11-16(12-14-18)22(27)23-21-19-9-6-10-20(19)24-26(21)17-7-4-3-5-8-17/h3-5,7-8,11-15,25H,6,9-10H2,1-2H3,(H,23,27)
InChIKeyCTWBWTVHXMHRKA-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.30
Rot. Bonds6

About N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide

N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide (PubChem CID 30177201) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide
PubChem CID30177201
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cc1
InChIInChI=1S/C22H24N4O3S/c1-15(2)25-30(28,29)18-13-11-16(12-14-18)22(27)23-21-19-9-6-10-20(19)24-26(21)17-7-4-3-5-8-17/h3-5,7-8,11-15,25H,6,9-10H2,1-2H3,(H,23,27)
InChIKeyCTWBWTVHXMHRKA-UHFFFAOYSA-N
XLogP3.30
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethylsulfonyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
CID 55475933
4-[methyl(phenyl)sulfamoyl]-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
CID 30007162
3,4-difluoro-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
CID 43036733
2-[methyl(methylsulfonyl)amino]-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
CID 51078002
3-methylsulfanyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide;hydrochloride
CID 86775123
2-(difluoromethoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
CID 30007381
3-chloro-4,5-dimethoxy-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
CID 30007405
1-benzyl-6-oxo-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4,5-dihydropyridazine-3-carboxamide
CID 55758251
N-(2-fluorophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 24592548
N-[2-(azepan-1-yl)phenyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 38282657
N-(2-acetylphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 16592625
N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 27648936

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide (CID 30177201) is N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cc1.
What is the InChIKey of N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is CTWBWTVHXMHRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-15(2)25-30(28,29)18-13-11-16(12-14-18)22(27)23-21-19-9-6-10-20(19)24-26(21)17-7-4-3-5-8-17/h3-5,7-8,11-15,25H,6,9-10H2,1-2H3,(H,23,27).
What are the key properties of N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide?
N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 424.53 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 30177201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).