3-(N-(2,5-dimethylfuran-3-yl)sulfonyl-4-fluoroanilino)propanamide

C15H17FN2O4S — CID 75445266

IUPAC3-(N-(2,5-dimethylfuran-3-yl)sulfonyl-4-fluoroanilino)propanamide
SMILESCc1cc(S(=O)(=O)N(CCC(N)=O)c2ccc(F)cc2)c(C)o1
InChIInChI=1S/C15H17FN2O4S/c1-10-9-14(11(2)22-10)23(20,21)18(8-7-15(17)19)13-5-3-12(16)4-6-13/h3-6,9H,7-8H2,1-2H3,(H2,17,19)
InChIKeyZLBSIBWPOJTFKR-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.11
Rot. Bonds6

About 3-(N-(2,5-dimethylfuran-3-yl)sulfonyl-4-fluoroanilino)propanamide

3-(N-(2,5-dimethylfuran-3-yl)sulfonyl-4-fluoroanilino)propanamide (PubChem CID 75445266) has the molecular formula C15H17FN2O4S and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-(N-(2,5-dimethylfuran-3-yl)sulfonyl-4-fluoroanilino)propanamide.

Molecular Properties

Compound Name3-(N-(2,5-dimethylfuran-3-yl)sulfonyl-4-fluoroanilino)propanamide
PubChem CID75445266
Molecular FormulaC15H17FN2O4S
Molecular Weight340.38 g/mol
Exact Mass340.09
IUPAC Name3-(N-(2,5-dimethylfuran-3-yl)sulfonyl-4-fluoroanilino)propanamide
SMILESCc1cc(S(=O)(=O)N(CCC(N)=O)c2ccc(F)cc2)c(C)o1
InChIInChI=1S/C15H17FN2O4S/c1-10-9-14(11(2)22-10)23(20,21)18(8-7-15(17)19)13-5-3-12(16)4-6-13/h3-6,9H,7-8H2,1-2H3,(H2,17,19)
InChIKeyZLBSIBWPOJTFKR-UHFFFAOYSA-N
XLogP2.11
TPSA93.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-(3,5-difluorophenyl)sulfonylanilino)propanamide
CID 38893186
3-(N-(4-chloro-3-nitrophenyl)sulfonyl-4-fluoroanilino)propanamide
CID 86886982
3-(N-(2-bromo-4-methylphenyl)sulfonylanilino)propanamide
CID 38893058
2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 2988323
3-(N-(4-tert-butylphenyl)sulfonylanilino)propanamide
CID 38893159
3-(4-chloro-N-(4-fluorophenyl)sulfonyl-3-methylanilino)propanoic acid
CID 50895710
2-(4-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 50890619
2-(N-(4-bromophenyl)sulfonyl-4-fluoroanilino)acetamide
CID 50890571
2-(N-(4-acetamidophenyl)sulfonyl-4-fluoroanilino)acetamide
CID 50889099
N-(3-aminopropyl)-N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60912475
N-(4-aminophenyl)-4-fluoro-N-propylbenzenesulfonamide
CID 63233678
N'-[3-(4-fluorophenyl)sulfonylpropanoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9468094

Frequently Asked Questions

What is the IUPAC name of 3-(N-(2,5-dimethylfuran-3-yl)sulfonyl-4-fluoroanilino)propanamide?
The IUPAC name of 3-(N-(2,5-dimethylfuran-3-yl)sulfonyl-4-fluoroanilino)propanamide (CID 75445266) is 3-(N-(2,5-dimethylfuran-3-yl)sulfonyl-4-fluoroanilino)propanamide.
What is the SMILES notation for 3-(N-(2,5-dimethylfuran-3-yl)sulfonyl-4-fluoroanilino)propanamide?
The canonical SMILES for 3-(N-(2,5-dimethylfuran-3-yl)sulfonyl-4-fluoroanilino)propanamide is Cc1cc(S(=O)(=O)N(CCC(N)=O)c2ccc(F)cc2)c(C)o1.
What is the InChIKey of 3-(N-(2,5-dimethylfuran-3-yl)sulfonyl-4-fluoroanilino)propanamide?
The InChIKey is ZLBSIBWPOJTFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O4S/c1-10-9-14(11(2)22-10)23(20,21)18(8-7-15(17)19)13-5-3-12(16)4-6-13/h3-6,9H,7-8H2,1-2H3,(H2,17,19).
What are the key properties of 3-(N-(2,5-dimethylfuran-3-yl)sulfonyl-4-fluoroanilino)propanamide?
3-(N-(2,5-dimethylfuran-3-yl)sulfonyl-4-fluoroanilino)propanamide has a molecular weight of 340.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-(2,5-dimethylfuran-3-yl)sulfonyl-4-fluoroanilino)propanamide is sourced from PubChem (CID 75445266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).