4-(butan-2-ylsulfamoyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide

C21H23ClN4O3S — CID 55493759

IUPAC4-(butan-2-ylsulfamoyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(C)nn2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H23ClN4O3S/c1-4-14(2)25-30(28,29)19-10-8-16(9-11-19)21(27)23-20-12-15(3)24-26(20)18-7-5-6-17(22)13-18/h5-14,25H,4H2,1-3H3,(H,23,27)
InChIKeyDYYBEHXNKWNGKQ-UHFFFAOYSA-N
MW446.96 g/mol
LogP4.16
Rot. Bonds7

About 4-(butan-2-ylsulfamoyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide

4-(butan-2-ylsulfamoyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide (PubChem CID 55493759) has the molecular formula C21H23ClN4O3S and a molecular weight of 446.96 g/mol. Its IUPAC name is 4-(butan-2-ylsulfamoyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-(butan-2-ylsulfamoyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
PubChem CID55493759
Molecular FormulaC21H23ClN4O3S
Molecular Weight446.96 g/mol
Exact Mass446.12
IUPAC Name4-(butan-2-ylsulfamoyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(C)nn2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H23ClN4O3S/c1-4-14(2)25-30(28,29)19-10-8-16(9-11-19)21(27)23-20-12-15(3)24-26(20)18-7-5-6-17(22)13-18/h5-14,25H,4H2,1-3H3,(H,23,27)
InChIKeyDYYBEHXNKWNGKQ-UHFFFAOYSA-N
XLogP4.16
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.96
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 2352147
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(methylsulfanylmethyl)benzamide
CID 55480086
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(cyclopropylsulfamoyl)benzamide
CID 55480738
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(2-oxopiperidin-1-yl)benzamide
CID 55480744
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 55378083
4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide
CID 46529057
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 55481157
5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 55481154
2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110459429
4-(butan-2-ylsulfamoyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 55491479
4-[[(2R)-butan-2-yl]sulfamoyl]-N-[3-(triazol-1-yl)phenyl]benzamide
CID 97025472
4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylsulfamoyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide?
The IUPAC name of 4-(butan-2-ylsulfamoyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide (CID 55493759) is 4-(butan-2-ylsulfamoyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide.
What is the SMILES notation for 4-(butan-2-ylsulfamoyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide?
The canonical SMILES for 4-(butan-2-ylsulfamoyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide is CCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(C)nn2-c2cccc(Cl)c2)cc1.
What is the InChIKey of 4-(butan-2-ylsulfamoyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide?
The InChIKey is DYYBEHXNKWNGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3S/c1-4-14(2)25-30(28,29)19-10-8-16(9-11-19)21(27)23-20-12-15(3)24-26(20)18-7-5-6-17(22)13-18/h5-14,25H,4H2,1-3H3,(H,23,27).
What are the key properties of 4-(butan-2-ylsulfamoyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide?
4-(butan-2-ylsulfamoyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide has a molecular weight of 446.96 g/mol, XLogP of 4.16, 7 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-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide is sourced from PubChem (CID 55493759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).