4-chloro-N-(2,6-difluorophenyl)-3-methylsulfonylbenzamide

C14H10ClF2NO3S — CID 51158895

IUPAC4-chloro-N-(2,6-difluorophenyl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cc(C(=O)Nc2c(F)cccc2F)ccc1Cl
InChIInChI=1S/C14H10ClF2NO3S/c1-22(20,21)12-7-8(5-6-9(12)15)14(19)18-13-10(16)3-2-4-11(13)17/h2-7H,1H3,(H,18,19)
InChIKeyWDDAIIHKAUTJKW-UHFFFAOYSA-N
MW345.75 g/mol
LogP3.27
Rot. Bonds3

About 4-chloro-N-(2,6-difluorophenyl)-3-methylsulfonylbenzamide

4-chloro-N-(2,6-difluorophenyl)-3-methylsulfonylbenzamide (PubChem CID 51158895) has the molecular formula C14H10ClF2NO3S and a molecular weight of 345.75 g/mol. Its IUPAC name is 4-chloro-N-(2,6-difluorophenyl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(2,6-difluorophenyl)-3-methylsulfonylbenzamide
PubChem CID51158895
Molecular FormulaC14H10ClF2NO3S
Molecular Weight345.75 g/mol
Exact Mass345.00
IUPAC Name4-chloro-N-(2,6-difluorophenyl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cc(C(=O)Nc2c(F)cccc2F)ccc1Cl
InChIInChI=1S/C14H10ClF2NO3S/c1-22(20,21)12-7-8(5-6-9(12)15)14(19)18-13-10(16)3-2-4-11(13)17/h2-7H,1H3,(H,18,19)
InChIKeyWDDAIIHKAUTJKW-UHFFFAOYSA-N
XLogP3.27
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.75
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2,6-dimethylphenyl)-3-methylsulfonylbenzamide
CID 26894430
4-chloro-N-(4-fluoro-2-methylphenyl)-3-methylsulfonylbenzamide
CID 26886366
4-chloro-3-methylsulfonylbenzohydrazide
CID 43091103
N-(4-bromo-2-chlorophenyl)-4-chloro-3-methylsulfonylbenzamide
CID 26239627
4-chloro-N-[4-(dimethylamino)phenyl]-3-methylsulfonylbenzamide
CID 78776424
4-chloro-3-methylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78927700
4-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methylsulfonylbenzamide
CID 55466634
4-chloro-N-[1-(3,4-difluorophenyl)ethyl]-3-methylsulfonylbenzamide
CID 51150850
4-chloro-3-methylsulfonyl-N-(2-phenylpyrimidin-5-yl)benzamide
CID 134009371
N-(2-chloro-6-fluorophenyl)-3,4-dihydroxybenzamide
CID 107728554
3-amino-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide
CID 107596191
3-chloro-N-(2,6-difluorophenyl)-4-nitrobenzamide
CID 82775247

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,6-difluorophenyl)-3-methylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-(2,6-difluorophenyl)-3-methylsulfonylbenzamide (CID 51158895) is 4-chloro-N-(2,6-difluorophenyl)-3-methylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(2,6-difluorophenyl)-3-methylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(2,6-difluorophenyl)-3-methylsulfonylbenzamide is CS(=O)(=O)c1cc(C(=O)Nc2c(F)cccc2F)ccc1Cl.
What is the InChIKey of 4-chloro-N-(2,6-difluorophenyl)-3-methylsulfonylbenzamide?
The InChIKey is WDDAIIHKAUTJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NO3S/c1-22(20,21)12-7-8(5-6-9(12)15)14(19)18-13-10(16)3-2-4-11(13)17/h2-7H,1H3,(H,18,19).
What are the key properties of 4-chloro-N-(2,6-difluorophenyl)-3-methylsulfonylbenzamide?
4-chloro-N-(2,6-difluorophenyl)-3-methylsulfonylbenzamide has a molecular weight of 345.75 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,6-difluorophenyl)-3-methylsulfonylbenzamide is sourced from PubChem (CID 51158895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).