N-(2,5-dimethylfuran-3-yl)sulfonyl-2,5-difluorobenzamide

C13H11F2NO4S — CID 75472165

IUPACN-(2,5-dimethylfuran-3-yl)sulfonyl-2,5-difluorobenzamide
SMILESCc1cc(S(=O)(=O)NC(=O)c2cc(F)ccc2F)c(C)o1
InChIInChI=1S/C13H11F2NO4S/c1-7-5-12(8(2)20-7)21(18,19)16-13(17)10-6-9(14)3-4-11(10)15/h3-6H,1-2H3,(H,16,17)
InChIKeyVAPJSPVJDYLSGU-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.29
Rot. Bonds3

About N-(2,5-dimethylfuran-3-yl)sulfonyl-2,5-difluorobenzamide

N-(2,5-dimethylfuran-3-yl)sulfonyl-2,5-difluorobenzamide (PubChem CID 75472165) has the molecular formula C13H11F2NO4S and a molecular weight of 315.30 g/mol. Its IUPAC name is N-(2,5-dimethylfuran-3-yl)sulfonyl-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(2,5-dimethylfuran-3-yl)sulfonyl-2,5-difluorobenzamide
PubChem CID75472165
Molecular FormulaC13H11F2NO4S
Molecular Weight315.30 g/mol
Exact Mass315.04
IUPAC NameN-(2,5-dimethylfuran-3-yl)sulfonyl-2,5-difluorobenzamide
SMILESCc1cc(S(=O)(=O)NC(=O)c2cc(F)ccc2F)c(C)o1
InChIInChI=1S/C13H11F2NO4S/c1-7-5-12(8(2)20-7)21(18,19)16-13(17)10-6-9(14)3-4-11(10)15/h3-6H,1-2H3,(H,16,17)
InChIKeyVAPJSPVJDYLSGU-UHFFFAOYSA-N
XLogP2.29
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylfuran-3-yl)sulfonyl-2-fluorobenzamide
CID 86782476
2-(3,4-difluorophenyl)-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide
CID 75472163
N-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylbutanamide
CID 75497652
2,5-dimethyl-N'-(2,3,4-trifluorophenyl)sulfonylfuran-3-carbohydrazide
CID 29424945
N'-(4-fluorophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980783
1-(2,4-difluorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]urea
CID 51168686
N-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 166201074
N-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carboxamide
CID 86977698
2,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)sulfonylfuran-3-carboxamide
CID 78895737
N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-difluorobenzamide
CID 90536053
2-[(2,5-difluorobenzoyl)amino]-2-methylbutanoic acid
CID 79793272
N-(4-amino-2,2-dimethylbutyl)-2,5-difluorobenzamide
CID 106139692

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylfuran-3-yl)sulfonyl-2,5-difluorobenzamide?
The IUPAC name of N-(2,5-dimethylfuran-3-yl)sulfonyl-2,5-difluorobenzamide (CID 75472165) is N-(2,5-dimethylfuran-3-yl)sulfonyl-2,5-difluorobenzamide.
What is the SMILES notation for N-(2,5-dimethylfuran-3-yl)sulfonyl-2,5-difluorobenzamide?
The canonical SMILES for N-(2,5-dimethylfuran-3-yl)sulfonyl-2,5-difluorobenzamide is Cc1cc(S(=O)(=O)NC(=O)c2cc(F)ccc2F)c(C)o1.
What is the InChIKey of N-(2,5-dimethylfuran-3-yl)sulfonyl-2,5-difluorobenzamide?
The InChIKey is VAPJSPVJDYLSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO4S/c1-7-5-12(8(2)20-7)21(18,19)16-13(17)10-6-9(14)3-4-11(10)15/h3-6H,1-2H3,(H,16,17).
What are the key properties of N-(2,5-dimethylfuran-3-yl)sulfonyl-2,5-difluorobenzamide?
N-(2,5-dimethylfuran-3-yl)sulfonyl-2,5-difluorobenzamide has a molecular weight of 315.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylfuran-3-yl)sulfonyl-2,5-difluorobenzamide is sourced from PubChem (CID 75472165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).