3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C21H23ClN4O4S — CID 55513151

IUPAC3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(C)Cc2cnn(C)c2)cc1S(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN4O4S/c1-25(13-16-11-23-26(2)14-16)21(27)17-6-9-19(30-3)20(10-17)31(28,29)24-12-15-4-7-18(22)8-5-15/h4-11,14,24H,12-13H2,1-3H3
InChIKeyGAMFVKKLHXKQBA-UHFFFAOYSA-N
MW462.96 g/mol
LogP2.83
Rot. Bonds8

About 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 55513151) has the molecular formula C21H23ClN4O4S and a molecular weight of 462.96 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID55513151
Molecular FormulaC21H23ClN4O4S
Molecular Weight462.96 g/mol
Exact Mass462.11
IUPAC Name3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(C)Cc2cnn(C)c2)cc1S(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN4O4S/c1-25(13-16-11-23-26(2)14-16)21(27)17-6-9-19(30-3)20(10-17)31(28,29)24-12-15-4-7-18(22)8-5-15/h4-11,14,24H,12-13H2,1-3H3
InChIKeyGAMFVKKLHXKQBA-UHFFFAOYSA-N
XLogP2.83
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.96
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 55513151) is 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is COc1ccc(C(=O)N(C)Cc2cnn(C)c2)cc1S(=O)(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is GAMFVKKLHXKQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O4S/c1-25(13-16-11-23-26(2)14-16)21(27)17-6-9-19(30-3)20(10-17)31(28,29)24-12-15-4-7-18(22)8-5-15/h4-11,14,24H,12-13H2,1-3H3.
What are the key properties of 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 462.96 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 55513151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).