3,5-dichloro-N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]benzamide

C21H16Cl2N2O4S — CID 55637881

IUPAC3,5-dichloro-N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]benzamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)c1
InChIInChI=1S/C21H16Cl2N2O4S/c1-30(28,29)19-4-2-3-18(12-19)25-20(26)13-5-7-17(8-6-13)24-21(27)14-9-15(22)11-16(23)10-14/h2-12H,1H3,(H,24,27)(H,25,26)
InChIKeyXWMMOKUIYBHZCD-UHFFFAOYSA-N
MW463.34 g/mol
LogP4.90
Rot. Bonds5

About 3,5-dichloro-N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]benzamide

3,5-dichloro-N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]benzamide (PubChem CID 55637881) has the molecular formula C21H16Cl2N2O4S and a molecular weight of 463.34 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]benzamide
PubChem CID55637881
Molecular FormulaC21H16Cl2N2O4S
Molecular Weight463.34 g/mol
Exact Mass462.02
IUPAC Name3,5-dichloro-N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]benzamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)c1
InChIInChI=1S/C21H16Cl2N2O4S/c1-30(28,29)19-4-2-3-18(12-19)25-20(26)13-5-7-17(8-6-13)24-21(27)14-9-15(22)11-16(23)10-14/h2-12H,1H3,(H,24,27)(H,25,26)
InChIKeyXWMMOKUIYBHZCD-UHFFFAOYSA-N
XLogP4.90
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.34
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-(3-methylsulfonylphenyl)urea
CID 110774767
N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 9072392
3-amino-4-chloro-N-(3-methylsulfonylphenyl)benzamide
CID 60923802
6-chloro-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide
CID 9071047
4-acetamido-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]benzamide
CID 26592920
3-bromo-4-fluoro-N-(3-methylsulfonylphenyl)benzamide
CID 103706508
3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 17416178
N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide
CID 9093665
4-acetamido-N-(3-sulfamoylphenyl)benzamide
CID 4067351
3-bromo-5-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 104852044
4-chloro-N-[3-methyl-1-(3-methylsulfonylanilino)-1-oxobutan-2-yl]benzamide
CID 55416259
3,5-dichloro-N-(4-chlorophenyl)benzamide
CID 3382216

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]benzamide (CID 55637881) is 3,5-dichloro-N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]benzamide is CS(=O)(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)c1.
What is the InChIKey of 3,5-dichloro-N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]benzamide?
The InChIKey is XWMMOKUIYBHZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O4S/c1-30(28,29)19-4-2-3-18(12-19)25-20(26)13-5-7-17(8-6-13)24-21(27)14-9-15(22)11-16(23)10-14/h2-12H,1H3,(H,24,27)(H,25,26).
What are the key properties of 3,5-dichloro-N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]benzamide?
3,5-dichloro-N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]benzamide has a molecular weight of 463.34 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 55637881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).