4-(butan-2-ylsulfamoyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide

C21H23ClN4O3S — CID 55491479

IUPAC4-(butan-2-ylsulfamoyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H23ClN4O3S/c1-3-15(2)25-30(28,29)19-10-6-17(7-11-19)21(27)24-20-12-13-23-26(20)14-16-4-8-18(22)9-5-16/h4-13,15,25H,3,14H2,1-2H3,(H,24,27)
InChIKeyVGFUUXFENHFUOA-UHFFFAOYSA-N
MW446.96 g/mol
LogP3.91
Rot. Bonds8

About 4-(butan-2-ylsulfamoyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide

4-(butan-2-ylsulfamoyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 55491479) has the molecular formula C21H23ClN4O3S and a molecular weight of 446.96 g/mol. Its IUPAC name is 4-(butan-2-ylsulfamoyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-(butan-2-ylsulfamoyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID55491479
Molecular FormulaC21H23ClN4O3S
Molecular Weight446.96 g/mol
Exact Mass446.12
IUPAC Name4-(butan-2-ylsulfamoyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H23ClN4O3S/c1-3-15(2)25-30(28,29)19-10-6-17(7-11-19)21(27)24-20-12-13-23-26(20)14-16-4-8-18(22)9-5-16/h4-13,15,25H,3,14H2,1-2H3,(H,24,27)
InChIKeyVGFUUXFENHFUOA-UHFFFAOYSA-N
XLogP3.91
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.96
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide
CID 46529057
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-carboxamide
CID 26725865
4-[[(2S)-butan-2-yl]sulfamoyl]-N-pyridin-2-ylbenzamide
CID 41273948
4,5-dichloro-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrrole-2-carboxamide
CID 78833536
4-(butan-2-ylsulfamoyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 55493759
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 46616697
5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide
CID 90259276
1-[4-(butan-2-ylsulfamoyl)phenyl]-3-(4-chlorophenyl)urea
CID 17160150
4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-4-(2-methylpropoxy)benzamide
CID 35579716
4-(butan-2-ylsulfamoyl)-N-(2,6-difluorophenyl)benzamide
CID 55485773

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylsulfamoyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 4-(butan-2-ylsulfamoyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide (CID 55491479) is 4-(butan-2-ylsulfamoyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-(butan-2-ylsulfamoyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-(butan-2-ylsulfamoyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide is CCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(butan-2-ylsulfamoyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is VGFUUXFENHFUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3S/c1-3-15(2)25-30(28,29)19-10-6-17(7-11-19)21(27)24-20-12-13-23-26(20)14-16-4-8-18(22)9-5-16/h4-13,15,25H,3,14H2,1-2H3,(H,24,27).
What are the key properties of 4-(butan-2-ylsulfamoyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
4-(butan-2-ylsulfamoyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 446.96 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylsulfamoyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 55491479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).