3-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-methylsulfinylphenyl)benzamide

C21H19ClN2O4S2 — CID 90343257

IUPAC3-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-methylsulfinylphenyl)benzamide
SMILESCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(S(C)=O)cc2)c1
InChIInChI=1S/C21H19ClN2O4S2/c1-24(18-10-6-16(22)7-11-18)30(27,28)20-5-3-4-15(14-20)21(25)23-17-8-12-19(13-9-17)29(2)26/h3-14H,1-2H3,(H,23,25)
InChIKeyJHIZRRMRTGHHKD-UHFFFAOYSA-N
MW462.98 g/mol
LogP4.15
Rot. Bonds6

About 3-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-methylsulfinylphenyl)benzamide

3-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-methylsulfinylphenyl)benzamide (PubChem CID 90343257) has the molecular formula C21H19ClN2O4S2 and a molecular weight of 462.98 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-methylsulfinylphenyl)benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-methylsulfinylphenyl)benzamide
PubChem CID90343257
Molecular FormulaC21H19ClN2O4S2
Molecular Weight462.98 g/mol
Exact Mass462.05
IUPAC Name3-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-methylsulfinylphenyl)benzamide
SMILESCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(S(C)=O)cc2)c1
InChIInChI=1S/C21H19ClN2O4S2/c1-24(18-10-6-16(22)7-11-18)30(27,28)20-5-3-4-15(14-20)21(25)23-17-8-12-19(13-9-17)29(2)26/h3-14H,1-2H3,(H,23,25)
InChIKeyJHIZRRMRTGHHKD-UHFFFAOYSA-N
XLogP4.15
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.98
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-methylsulfinylphenyl)benzamide?
The IUPAC name of 3-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-methylsulfinylphenyl)benzamide (CID 90343257) is 3-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-methylsulfinylphenyl)benzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-methylsulfinylphenyl)benzamide?
The canonical SMILES for 3-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-methylsulfinylphenyl)benzamide is CN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(S(C)=O)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-methylsulfinylphenyl)benzamide?
The InChIKey is JHIZRRMRTGHHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4S2/c1-24(18-10-6-16(22)7-11-18)30(27,28)20-5-3-4-15(14-20)21(25)23-17-8-12-19(13-9-17)29(2)26/h3-14H,1-2H3,(H,23,25).
What are the key properties of 3-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-methylsulfinylphenyl)benzamide?
3-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-methylsulfinylphenyl)benzamide has a molecular weight of 462.98 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-methylsulfinylphenyl)benzamide is sourced from PubChem (CID 90343257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).