4-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

C15H15F3N2O4S — CID 8817707

IUPAC4-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESC[C@H](NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)c1ccco1
InChIInChI=1S/C15H15F3N2O4S/c1-10(13-3-2-8-24-13)20-25(22,23)12-6-4-11(5-7-12)14(21)19-9-15(16,17)18/h2-8,10,20H,9H2,1H3,(H,19,21)/t10-/m0/s1
InChIKeyKTIPBJFMTWRYOX-JTQLQIEISA-N
MW376.36 g/mol
LogP2.61
Rot. Bonds6

About 4-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

4-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 8817707) has the molecular formula C15H15F3N2O4S and a molecular weight of 376.36 g/mol. Its IUPAC name is 4-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID8817707
Molecular FormulaC15H15F3N2O4S
Molecular Weight376.36 g/mol
Exact Mass376.07
IUPAC Name4-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESC[C@H](NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)c1ccco1
InChIInChI=1S/C15H15F3N2O4S/c1-10(13-3-2-8-24-13)20-25(22,23)12-6-4-11(5-7-12)14(21)19-9-15(16,17)18/h2-8,10,20H,9H2,1H3,(H,19,21)/t10-/m0/s1
InChIKeyKTIPBJFMTWRYOX-JTQLQIEISA-N
XLogP2.61
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(1R)-1-(furan-2-yl)ethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 8817710
4-[[(1R)-1-cyclopropylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 8817212
N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 8817714
4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817386
2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 55492050
3-fluoro-4-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]benzoic acid
CID 81390250
4-(ethylamino)-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 62147659
4-[[(2-methylcyclopropyl)-phenylmethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 86959941
4-(2-chloroethyl)-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 107858812
4-(cyanomethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 9452221
N-[1-(furan-2-yl)ethyl]-3-propanoylbenzenesulfonamide
CID 60873627
4-fluoro-3-[1-(furan-2-yl)ethylsulfamoyl]benzoic acid
CID 43399440

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 8817707) is 4-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is C[C@H](NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)c1ccco1.
What is the InChIKey of 4-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is KTIPBJFMTWRYOX-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15F3N2O4S/c1-10(13-3-2-8-24-13)20-25(22,23)12-6-4-11(5-7-12)14(21)19-9-15(16,17)18/h2-8,10,20H,9H2,1H3,(H,19,21)/t10-/m0/s1.
What are the key properties of 4-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
4-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 376.36 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 8817707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).