4-chloro-3-(dimethylsulfamoyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide

C17H17ClN4O3S2 — CID 2485473

IUPAC4-chloro-3-(dimethylsulfamoyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2ccnn2Cc2cccs2)ccc1Cl
InChIInChI=1S/C17H17ClN4O3S2/c1-21(2)27(24,25)15-10-12(5-6-14(15)18)17(23)20-16-7-8-19-22(16)11-13-4-3-9-26-13/h3-10H,11H2,1-2H3,(H,20,23)
InChIKeyVDISRCYAUXWXNW-UHFFFAOYSA-N
MW424.94 g/mol
LogP3.15
Rot. Bonds6

About 4-chloro-3-(dimethylsulfamoyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide

4-chloro-3-(dimethylsulfamoyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide (PubChem CID 2485473) has the molecular formula C17H17ClN4O3S2 and a molecular weight of 424.94 g/mol. Its IUPAC name is 4-chloro-3-(dimethylsulfamoyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(dimethylsulfamoyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
PubChem CID2485473
Molecular FormulaC17H17ClN4O3S2
Molecular Weight424.94 g/mol
Exact Mass424.04
IUPAC Name4-chloro-3-(dimethylsulfamoyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2ccnn2Cc2cccs2)ccc1Cl
InChIInChI=1S/C17H17ClN4O3S2/c1-21(2)27(24,25)15-10-12(5-6-14(15)18)17(23)20-16-7-8-19-22(16)11-13-4-3-9-26-13/h3-10H,11H2,1-2H3,(H,20,23)
InChIKeyVDISRCYAUXWXNW-UHFFFAOYSA-N
XLogP3.15
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.94
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911601
3-bromo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911637
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide
CID 24525231
4-chloro-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-methylsulfonylbenzamide
CID 24509823
4-nitro-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911576
4-propoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 39834768
N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide
CID 7589760
4-chloro-3-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 43238130
2-(4-chlorophenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 8911690
5-methyl-2-phenyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]triazole-4-carboxamide
CID 17409981
(2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
CID 35673332
4-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(dimethylsulfamoyl)benzamide
CID 33302522

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide?
The IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide (CID 2485473) is 4-chloro-3-(dimethylsulfamoyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-chloro-3-(dimethylsulfamoyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide?
The canonical SMILES for 4-chloro-3-(dimethylsulfamoyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide is CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccnn2Cc2cccs2)ccc1Cl.
What is the InChIKey of 4-chloro-3-(dimethylsulfamoyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide?
The InChIKey is VDISRCYAUXWXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3S2/c1-21(2)27(24,25)15-10-12(5-6-14(15)18)17(23)20-16-7-8-19-22(16)11-13-4-3-9-26-13/h3-10H,11H2,1-2H3,(H,20,23).
What are the key properties of 4-chloro-3-(dimethylsulfamoyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide?
4-chloro-3-(dimethylsulfamoyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide has a molecular weight of 424.94 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(dimethylsulfamoyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 2485473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).