4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide

C24H21ClN4O4S — CID 24609841

IUPAC4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3cnn(-c4ccccc4)c3)ccc2Cl)cc1
InChIInChI=1S/C24H21ClN4O4S/c1-33-21-10-8-19(9-11-21)28-34(31,32)23-13-18(7-12-22(23)25)24(30)26-14-17-15-27-29(16-17)20-5-3-2-4-6-20/h2-13,15-16,28H,14H2,1H3,(H,26,30)
InChIKeyMLXIPKIMYIMTQY-UHFFFAOYSA-N
MW496.98 g/mol
LogP4.27
Rot. Bonds8

About 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide

4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide (PubChem CID 24609841) has the molecular formula C24H21ClN4O4S and a molecular weight of 496.98 g/mol. Its IUPAC name is 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
PubChem CID24609841
Molecular FormulaC24H21ClN4O4S
Molecular Weight496.98 g/mol
Exact Mass496.10
IUPAC Name4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3cnn(-c4ccccc4)c3)ccc2Cl)cc1
InChIInChI=1S/C24H21ClN4O4S/c1-33-21-10-8-19(9-11-21)28-34(31,32)23-13-18(7-12-22(23)25)24(30)26-14-17-15-27-29(16-17)20-5-3-2-4-6-20/h2-13,15-16,28H,14H2,1H3,(H,26,30)
InChIKeyMLXIPKIMYIMTQY-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-[(4-methoxyphenyl)sulfamoyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide (CID 24609841) is 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide is COc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3cnn(-c4ccccc4)c3)ccc2Cl)cc1.
What is the InChIKey of 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The InChIKey is MLXIPKIMYIMTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O4S/c1-33-21-10-8-19(9-11-21)28-34(31,32)23-13-18(7-12-22(23)25)24(30)26-14-17-15-27-29(16-17)20-5-3-2-4-6-20/h2-13,15-16,28H,14H2,1H3,(H,26,30).
What are the key properties of 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[(1-phenylpyrazol-4-yl)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-[(4-methoxyphenyl)sulfamoyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 24609841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).