2-(3,4-difluorophenyl)-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide

C14H13F2NO4S — CID 75472163

IUPAC2-(3,4-difluorophenyl)-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide
SMILESCc1cc(S(=O)(=O)NC(=O)Cc2ccc(F)c(F)c2)c(C)o1
InChIInChI=1S/C14H13F2NO4S/c1-8-5-13(9(2)21-8)22(19,20)17-14(18)7-10-3-4-11(15)12(16)6-10/h3-6H,7H2,1-2H3,(H,17,18)
InChIKeyJSFDWHXFHSUBLF-UHFFFAOYSA-N
MW329.32 g/mol
LogP2.22
Rot. Bonds4

About 2-(3,4-difluorophenyl)-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide

2-(3,4-difluorophenyl)-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide (PubChem CID 75472163) has the molecular formula C14H13F2NO4S and a molecular weight of 329.32 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide
PubChem CID75472163
Molecular FormulaC14H13F2NO4S
Molecular Weight329.32 g/mol
Exact Mass329.05
IUPAC Name2-(3,4-difluorophenyl)-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide
SMILESCc1cc(S(=O)(=O)NC(=O)Cc2ccc(F)c(F)c2)c(C)o1
InChIInChI=1S/C14H13F2NO4S/c1-8-5-13(9(2)21-8)22(19,20)17-14(18)7-10-3-4-11(15)12(16)6-10/h3-6H,7H2,1-2H3,(H,17,18)
InChIKeyJSFDWHXFHSUBLF-UHFFFAOYSA-N
XLogP2.22
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylfuran-3-yl)sulfonyl-2,5-difluorobenzamide
CID 75472165
N-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylbutanamide
CID 75497652
N-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 166201074
N-(1-chloro-2-methylbutan-2-yl)-2-(3,4-difluorophenyl)acetamide
CID 114303730
1-(3,4-difluorophenyl)-3-(4-methylphenyl)propan-2-one
CID 82920094
4-[[(3,4-difluorophenyl)methylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 103244446
N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]-2,5-dimethylfuran-3-sulfonamide
CID 58133015
1-(tert-butylamino)-3-(3,4-difluorophenyl)propan-2-one
CID 116588965
2-(3,4-difluorophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106123755
5-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylfuran-3-sulfonamide
CID 106055528
N-[(3,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110781066
(2S)-2-(azepan-1-yl)-N-(2,5-dimethylfuran-3-yl)sulfonylpropanamide
CID 99614548

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide (CID 75472163) is 2-(3,4-difluorophenyl)-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide is Cc1cc(S(=O)(=O)NC(=O)Cc2ccc(F)c(F)c2)c(C)o1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide?
The InChIKey is JSFDWHXFHSUBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO4S/c1-8-5-13(9(2)21-8)22(19,20)17-14(18)7-10-3-4-11(15)12(16)6-10/h3-6H,7H2,1-2H3,(H,17,18).
What are the key properties of 2-(3,4-difluorophenyl)-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide?
2-(3,4-difluorophenyl)-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide has a molecular weight of 329.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide is sourced from PubChem (CID 75472163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).