4-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C21H24N4O3S — CID 31844154

IUPAC4-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)Cc3cnn(C)c3)cc2)cc1C
InChIInChI=1S/C21H24N4O3S/c1-15-5-8-19(11-16(15)2)23-29(27,28)20-9-6-18(7-10-20)21(26)24(3)13-17-12-22-25(4)14-17/h5-12,14,23H,13H2,1-4H3
InChIKeyFQPWCCNGUSSSFJ-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.11
Rot. Bonds6

About 4-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

4-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 31844154) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID31844154
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name4-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)Cc3cnn(C)c3)cc2)cc1C
InChIInChI=1S/C21H24N4O3S/c1-15-5-8-19(11-16(15)2)23-29(27,28)20-9-6-18(7-10-20)21(26)24(3)13-17-12-22-25(4)14-17/h5-12,14,23H,13H2,1-4H3
InChIKeyFQPWCCNGUSSSFJ-UHFFFAOYSA-N
XLogP3.11
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 4-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 31844154) is 4-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)Cc3cnn(C)c3)cc2)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is FQPWCCNGUSSSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-15-5-8-19(11-16(15)2)23-29(27,28)20-9-6-18(7-10-20)21(26)24(3)13-17-12-22-25(4)14-17/h5-12,14,23H,13H2,1-4H3.
What are the key properties of 4-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
4-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 412.52 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 31844154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).