4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide

C24H21ClN4O4S — CID 55710626

IUPAC4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccc(-n3cccn3)cc2)ccc1Cl
InChIInChI=1S/C24H21ClN4O4S/c1-33-22-6-3-2-5-21(22)28-34(31,32)23-15-18(9-12-20(23)25)24(30)26-16-17-7-10-19(11-8-17)29-14-4-13-27-29/h2-15,28H,16H2,1H3,(H,26,30)
InChIKeyXFGXXBVFQUBMLS-UHFFFAOYSA-N
MW496.98 g/mol
LogP4.27
Rot. Bonds8

About 4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide

4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide (PubChem CID 55710626) has the molecular formula C24H21ClN4O4S and a molecular weight of 496.98 g/mol. Its IUPAC name is 4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
PubChem CID55710626
Molecular FormulaC24H21ClN4O4S
Molecular Weight496.98 g/mol
Exact Mass496.10
IUPAC Name4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccc(-n3cccn3)cc2)ccc1Cl
InChIInChI=1S/C24H21ClN4O4S/c1-33-22-6-3-2-5-21(22)28-34(31,32)23-15-18(9-12-20(23)25)24(30)26-16-17-7-10-19(11-8-17)29-14-4-13-27-29/h2-15,28H,16H2,1H3,(H,26,30)
InChIKeyXFGXXBVFQUBMLS-UHFFFAOYSA-N
XLogP4.27
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.98
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
The IUPAC name of 4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide (CID 55710626) is 4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide is COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccc(-n3cccn3)cc2)ccc1Cl.
What is the InChIKey of 4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
The InChIKey is XFGXXBVFQUBMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O4S/c1-33-22-6-3-2-5-21(22)28-34(31,32)23-15-18(9-12-20(23)25)24(30)26-16-17-7-10-19(11-8-17)29-14-4-13-27-29/h2-15,28H,16H2,1H3,(H,26,30).
What are the key properties of 4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide has a molecular weight of 496.98 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 55710626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).