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

C12H15F2NO2S — CID 113262853

IUPAC2,3-difluoro-N-(3-methylsulfinylbutyl)benzamide
SMILESCC(CCNC(=O)c1cccc(F)c1F)S(C)=O
InChIInChI=1S/C12H15F2NO2S/c1-8(18(2)17)6-7-15-12(16)9-4-3-5-10(13)11(9)14/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyAJGYVLCHMPFSAR-UHFFFAOYSA-N
MW275.32 g/mol
LogP1.85
Rot. Bonds5

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

2,3-difluoro-N-(3-methylsulfinylbutyl)benzamide (PubChem CID 113262853) has the molecular formula C12H15F2NO2S and a molecular weight of 275.32 g/mol. Its IUPAC name is 2,3-difluoro-N-(3-methylsulfinylbutyl)benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-(3-methylsulfinylbutyl)benzamide
PubChem CID113262853
Molecular FormulaC12H15F2NO2S
Molecular Weight275.32 g/mol
Exact Mass275.08
IUPAC Name2,3-difluoro-N-(3-methylsulfinylbutyl)benzamide
SMILESCC(CCNC(=O)c1cccc(F)c1F)S(C)=O
InChIInChI=1S/C12H15F2NO2S/c1-8(18(2)17)6-7-15-12(16)9-4-3-5-10(13)11(9)14/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyAJGYVLCHMPFSAR-UHFFFAOYSA-N
XLogP1.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-difluoro-N-(3-methylsulfinylbutyl)pyridine-4-carboxamide
CID 105381610
2-amino-N-(3-methylsulfinylbutyl)-3-nitrobenzamide
CID 115729440
3-amino-N-(3-methylsulfinylbutyl)naphthalene-2-carboxamide
CID 115734819
2-fluoro-N-(2-methylsulfinylpropyl)-3-(trifluoromethyl)benzamide
CID 115764438
2,3-difluoro-N-(methylaminomethyl)benzamide
CID 140814501
2-bromo-N-(3-methylsulfinylbutyl)-5-(trifluoromethyl)benzamide
CID 115742493
2,3-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996706
2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide
CID 62662327
2,3-difluoro-N-[2-methyl-3-(methylamino)propyl]benzamide;hydrochloride
CID 91645374
2,3-difluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119504020
2,3-difluoro-N-pentylbenzamide
CID 62649821
2-hydroxy-5-methyl-N-(3-methylsulfinylbutyl)benzamide
CID 115735985

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(3-methylsulfinylbutyl)benzamide?
The IUPAC name of 2,3-difluoro-N-(3-methylsulfinylbutyl)benzamide (CID 113262853) is 2,3-difluoro-N-(3-methylsulfinylbutyl)benzamide.
What is the SMILES notation for 2,3-difluoro-N-(3-methylsulfinylbutyl)benzamide?
The canonical SMILES for 2,3-difluoro-N-(3-methylsulfinylbutyl)benzamide is CC(CCNC(=O)c1cccc(F)c1F)S(C)=O.
What is the InChIKey of 2,3-difluoro-N-(3-methylsulfinylbutyl)benzamide?
The InChIKey is AJGYVLCHMPFSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2S/c1-8(18(2)17)6-7-15-12(16)9-4-3-5-10(13)11(9)14/h3-5,8H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2,3-difluoro-N-(3-methylsulfinylbutyl)benzamide?
2,3-difluoro-N-(3-methylsulfinylbutyl)benzamide has a molecular weight of 275.32 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(3-methylsulfinylbutyl)benzamide is sourced from PubChem (CID 113262853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).