2,6-dichloro-N-[(3-chloro-4-methylsulfonylphenyl)carbamoyl]benzamide

C15H11Cl3N2O4S — CID 22614284

IUPAC2,6-dichloro-N-[(3-chloro-4-methylsulfonylphenyl)carbamoyl]benzamide
SMILESCS(=O)(=O)c1ccc(NC(=O)NC(=O)c2c(Cl)cccc2Cl)cc1Cl
InChIInChI=1S/C15H11Cl3N2O4S/c1-25(23,24)12-6-5-8(7-11(12)18)19-15(22)20-14(21)13-9(16)3-2-4-10(13)17/h2-7H,1H3,(H2,19,20,21,22)
InChIKeyFXBHJNCGSWPLTC-UHFFFAOYSA-N
MW421.69 g/mol
LogP4.01
Rot. Bonds3

About 2,6-dichloro-N-[(3-chloro-4-methylsulfonylphenyl)carbamoyl]benzamide

2,6-dichloro-N-[(3-chloro-4-methylsulfonylphenyl)carbamoyl]benzamide (PubChem CID 22614284) has the molecular formula C15H11Cl3N2O4S and a molecular weight of 421.69 g/mol. Its IUPAC name is 2,6-dichloro-N-[(3-chloro-4-methylsulfonylphenyl)carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(3-chloro-4-methylsulfonylphenyl)carbamoyl]benzamide
PubChem CID22614284
Molecular FormulaC15H11Cl3N2O4S
Molecular Weight421.69 g/mol
Exact Mass419.95
IUPAC Name2,6-dichloro-N-[(3-chloro-4-methylsulfonylphenyl)carbamoyl]benzamide
SMILESCS(=O)(=O)c1ccc(NC(=O)NC(=O)c2c(Cl)cccc2Cl)cc1Cl
InChIInChI=1S/C15H11Cl3N2O4S/c1-25(23,24)12-6-5-8(7-11(12)18)19-15(22)20-14(21)13-9(16)3-2-4-10(13)17/h2-7H,1H3,(H2,19,20,21,22)
InChIKeyFXBHJNCGSWPLTC-UHFFFAOYSA-N
XLogP4.01
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.69
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-[(3-chloro-4-nitrophenyl)carbamoyl]benzamide
CID 19006407
2,6-dichloro-N-[[4-[(4-chlorophenyl)methylsulfonyl]-3-(trifluoromethyl)phenyl]carbamoyl]benzamide
CID 2730699
2,6-dichloro-N-[[4-(2,3-dichlorocyclopropyl)phenyl]carbamoyl]benzamide
CID 19006403
N-[(3-chloro-4-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276007
N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276006
2,6-dichloro-N-[[4-[4-(4-chlorophenyl)sulfonyl-3,5-dimethylphenoxy]phenyl]carbamoyl]benzamide
CID 67654433
1-[(1S)-1-(2-chlorophenyl)ethyl]-3-[3-(difluoromethyl)-4-methylsulfonylphenyl]urea
CID 97259057
2,6-dichloro-N-[(6-phenyl-3-pyridinyl)carbamoyl]benzamide
CID 13242737
2-chloro-6-hydroxy-N-[[4-(trifluoromethyl)phenyl]carbamoyl]benzamide
CID 19808580
N-[(3,5-dichloro-4-methoxyphenyl)carbamoyl]-2,6-difluorobenzamide
CID 54288472
N-[[3-chloro-4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 20524417
2,6-dichloro-N-[[6-(3-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]benzamide
CID 12912757

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(3-chloro-4-methylsulfonylphenyl)carbamoyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[(3-chloro-4-methylsulfonylphenyl)carbamoyl]benzamide (CID 22614284) is 2,6-dichloro-N-[(3-chloro-4-methylsulfonylphenyl)carbamoyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[(3-chloro-4-methylsulfonylphenyl)carbamoyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[(3-chloro-4-methylsulfonylphenyl)carbamoyl]benzamide is CS(=O)(=O)c1ccc(NC(=O)NC(=O)c2c(Cl)cccc2Cl)cc1Cl.
What is the InChIKey of 2,6-dichloro-N-[(3-chloro-4-methylsulfonylphenyl)carbamoyl]benzamide?
The InChIKey is FXBHJNCGSWPLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3N2O4S/c1-25(23,24)12-6-5-8(7-11(12)18)19-15(22)20-14(21)13-9(16)3-2-4-10(13)17/h2-7H,1H3,(H2,19,20,21,22).
What are the key properties of 2,6-dichloro-N-[(3-chloro-4-methylsulfonylphenyl)carbamoyl]benzamide?
2,6-dichloro-N-[(3-chloro-4-methylsulfonylphenyl)carbamoyl]benzamide has a molecular weight of 421.69 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(3-chloro-4-methylsulfonylphenyl)carbamoyl]benzamide is sourced from PubChem (CID 22614284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).