N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide

C10H14F3NO3S — CID 64585549

IUPACN-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(Cc1ccco1)CC(F)(F)F
InChIInChI=1S/C10H14F3NO3S/c1-8(2)18(15,16)14(7-10(11,12)13)6-9-4-3-5-17-9/h3-5,8H,6-7H2,1-2H3
InChIKeyMRNGMCYRBNBWHA-UHFFFAOYSA-N
MW285.29 g/mol
LogP2.38
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide

N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide (PubChem CID 64585549) has the molecular formula C10H14F3NO3S and a molecular weight of 285.29 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
PubChem CID64585549
Molecular FormulaC10H14F3NO3S
Molecular Weight285.29 g/mol
Exact Mass285.06
IUPAC NameN-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(Cc1ccco1)CC(F)(F)F
InChIInChI=1S/C10H14F3NO3S/c1-8(2)18(15,16)14(7-10(11,12)13)6-9-4-3-5-17-9/h3-5,8H,6-7H2,1-2H3
InChIKeyMRNGMCYRBNBWHA-UHFFFAOYSA-N
XLogP2.38
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 64585550
N-(furan-2-ylmethyl)-N-prop-2-enylpropane-2-sulfonamide
CID 10490437
3-chloro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 62728690
N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)propanamide
CID 78874055
2-[2-cyanoethyl(furan-2-ylmethyl)sulfamoyl]propanoic acid
CID 61458170
3-chloro-N-(furan-2-ylmethyl)-N,2-dimethylpropane-1-sulfonamide
CID 79580377
2-amino-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 79793559
N-(furan-2-ylmethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 51169518
4-amino-5-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid
CID 64890856
1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62569923
N-benzyl-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 167880591
2-[[ethyl(furan-2-ylmethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263712

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide (CID 64585549) is N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide is CC(C)S(=O)(=O)N(Cc1ccco1)CC(F)(F)F.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide?
The InChIKey is MRNGMCYRBNBWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO3S/c1-8(2)18(15,16)14(7-10(11,12)13)6-9-4-3-5-17-9/h3-5,8H,6-7H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide?
N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide has a molecular weight of 285.29 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide is sourced from PubChem (CID 64585549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).