2,3-difluoro-N-(2-methylsulfonylethyl)benzamide

C10H11F2NO3S — CID 62650533

IUPAC2,3-difluoro-N-(2-methylsulfonylethyl)benzamide
SMILESCS(=O)(=O)CCNC(=O)c1cccc(F)c1F
InChIInChI=1S/C10H11F2NO3S/c1-17(15,16)6-5-13-10(14)7-3-2-4-8(11)9(7)12/h2-4H,5-6H2,1H3,(H,13,14)
InChIKeyTZNPRFPKUCQPTN-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.74
Rot. Bonds4

About 2,3-difluoro-N-(2-methylsulfonylethyl)benzamide

2,3-difluoro-N-(2-methylsulfonylethyl)benzamide (PubChem CID 62650533) has the molecular formula C10H11F2NO3S and a molecular weight of 263.26 g/mol. Its IUPAC name is 2,3-difluoro-N-(2-methylsulfonylethyl)benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-(2-methylsulfonylethyl)benzamide
PubChem CID62650533
Molecular FormulaC10H11F2NO3S
Molecular Weight263.26 g/mol
Exact Mass263.04
IUPAC Name2,3-difluoro-N-(2-methylsulfonylethyl)benzamide
SMILESCS(=O)(=O)CCNC(=O)c1cccc(F)c1F
InChIInChI=1S/C10H11F2NO3S/c1-17(15,16)6-5-13-10(14)7-3-2-4-8(11)9(7)12/h2-4H,5-6H2,1H3,(H,13,14)
InChIKeyTZNPRFPKUCQPTN-UHFFFAOYSA-N
XLogP0.74
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 54934799
2,3-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79550157
2,3-difluoro-N-(methylaminomethyl)benzamide
CID 140814501
2,3-difluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119504020
2,3-difluoro-N-pentylbenzamide
CID 62649821
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
N-(3,3-dimethylbutyl)-2,3-difluorobenzamide
CID 115605194
2-methoxy-N-(2-methylsulfonylethyl)benzamide
CID 47230081
2,3-difluoro-N-(3-iodopropyl)benzamide
CID 114504531
N-[3-(ethylamino)propyl]-2,3-difluorobenzamide
CID 62662463
4-fluoro-2-hydroxy-N-(2-methylsulfonylethyl)benzamide
CID 113304549
2-methylsulfanyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide
CID 47230711

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(2-methylsulfonylethyl)benzamide?
The IUPAC name of 2,3-difluoro-N-(2-methylsulfonylethyl)benzamide (CID 62650533) is 2,3-difluoro-N-(2-methylsulfonylethyl)benzamide.
What is the SMILES notation for 2,3-difluoro-N-(2-methylsulfonylethyl)benzamide?
The canonical SMILES for 2,3-difluoro-N-(2-methylsulfonylethyl)benzamide is CS(=O)(=O)CCNC(=O)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(2-methylsulfonylethyl)benzamide?
The InChIKey is TZNPRFPKUCQPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3S/c1-17(15,16)6-5-13-10(14)7-3-2-4-8(11)9(7)12/h2-4H,5-6H2,1H3,(H,13,14).
What are the key properties of 2,3-difluoro-N-(2-methylsulfonylethyl)benzamide?
2,3-difluoro-N-(2-methylsulfonylethyl)benzamide has a molecular weight of 263.26 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(2-methylsulfonylethyl)benzamide is sourced from PubChem (CID 62650533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).