1-[(2-chlorophenyl)methyl]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide

C20H21ClN4O3S — CID 38123381

IUPAC1-[(2-chlorophenyl)methyl]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2cnn(Cc3ccccc3Cl)c2)cc1
InChIInChI=1S/C20H21ClN4O3S/c1-22-29(27,28)14-16-8-6-15(7-9-16)10-23-20(26)18-11-24-25(13-18)12-17-4-2-3-5-19(17)21/h2-9,11,13,22H,10,12,14H2,1H3,(H,23,26)
InChIKeyGLVXWVFNNGRVJZ-UHFFFAOYSA-N
MW432.93 g/mol
LogP2.56
Rot. Bonds8

About 1-[(2-chlorophenyl)methyl]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 38123381) has the molecular formula C20H21ClN4O3S and a molecular weight of 432.93 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID38123381
Molecular FormulaC20H21ClN4O3S
Molecular Weight432.93 g/mol
Exact Mass432.10
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2cnn(Cc3ccccc3Cl)c2)cc1
InChIInChI=1S/C20H21ClN4O3S/c1-22-29(27,28)14-16-8-6-15(7-9-16)10-23-20(26)18-11-24-25(13-18)12-17-4-2-3-5-19(17)21/h2-9,11,13,22H,10,12,14H2,1H3,(H,23,26)
InChIKeyGLVXWVFNNGRVJZ-UHFFFAOYSA-N
XLogP2.56
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.93
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide (CID 38123381) is 1-[(2-chlorophenyl)methyl]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide is CNS(=O)(=O)Cc1ccc(CNC(=O)c2cnn(Cc3ccccc3Cl)c2)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is GLVXWVFNNGRVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3S/c1-22-29(27,28)14-16-8-6-15(7-9-16)10-23-20(26)18-11-24-25(13-18)12-17-4-2-3-5-19(17)21/h2-9,11,13,22H,10,12,14H2,1H3,(H,23,26).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 432.93 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 38123381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).