N-[2-[5-(trifluoromethyl)furan-2-yl]propan-2-yl]benzenesulfonamide

C14H14F3NO3S — CID 135357174

IUPACN-[2-[5-(trifluoromethyl)furan-2-yl]propan-2-yl]benzenesulfonamide
SMILESCC(C)(NS(=O)(=O)c1ccccc1)c1ccc(C(F)(F)F)o1
InChIInChI=1S/C14H14F3NO3S/c1-13(2,11-8-9-12(21-11)14(15,16)17)18-22(19,20)10-6-4-3-5-7-10/h3-9,18H,1-2H3
InChIKeyUZPRZGJDFJDPFZ-UHFFFAOYSA-N
MW333.33 g/mol
LogP3.51
Rot. Bonds4

About N-[2-[5-(trifluoromethyl)furan-2-yl]propan-2-yl]benzenesulfonamide

N-[2-[5-(trifluoromethyl)furan-2-yl]propan-2-yl]benzenesulfonamide (PubChem CID 135357174) has the molecular formula C14H14F3NO3S and a molecular weight of 333.33 g/mol. Its IUPAC name is N-[2-[5-(trifluoromethyl)furan-2-yl]propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[5-(trifluoromethyl)furan-2-yl]propan-2-yl]benzenesulfonamide
PubChem CID135357174
Molecular FormulaC14H14F3NO3S
Molecular Weight333.33 g/mol
Exact Mass333.06
IUPAC NameN-[2-[5-(trifluoromethyl)furan-2-yl]propan-2-yl]benzenesulfonamide
SMILESCC(C)(NS(=O)(=O)c1ccccc1)c1ccc(C(F)(F)F)o1
InChIInChI=1S/C14H14F3NO3S/c1-13(2,11-8-9-12(21-11)14(15,16)17)18-22(19,20)10-6-4-3-5-7-10/h3-9,18H,1-2H3
InChIKeyUZPRZGJDFJDPFZ-UHFFFAOYSA-N
XLogP3.51
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-dihydroxypropan-2-yl)benzenesulfonamide
CID 172624828
N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
CID 786529
4-methyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)benzenesulfonamide
CID 75458388
N,N'-bis(benzenesulfonyl)-1,1,2,2-tetrafluoroethane-1,2-disulfonamide
CID 126606304
3-(benzenesulfonamido)-3-methylbutanamide
CID 104600859
N-[1-(diethylamino)-2-methylpropan-2-yl]benzenesulfonamide
CID 2314590
N-[methylsulfonyl-[2-(trifluoromethyl)phenyl]methoxy]benzenesulfonamide
CID 140931341
2-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 61263607
2-(benzenesulfonamido)-2-methylbutanethioamide
CID 61124279
N-(1-bromo-3-methylpentan-3-yl)benzenesulfonamide
CID 106170023
N-[2-(2-fluorophenyl)propan-2-yl]-4-methoxybenzenesulfonamide
CID 110445897
ethyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-(3-fluoroanilino)propanoate
CID 4151094

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(trifluoromethyl)furan-2-yl]propan-2-yl]benzenesulfonamide?
The IUPAC name of N-[2-[5-(trifluoromethyl)furan-2-yl]propan-2-yl]benzenesulfonamide (CID 135357174) is N-[2-[5-(trifluoromethyl)furan-2-yl]propan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-[5-(trifluoromethyl)furan-2-yl]propan-2-yl]benzenesulfonamide?
The canonical SMILES for N-[2-[5-(trifluoromethyl)furan-2-yl]propan-2-yl]benzenesulfonamide is CC(C)(NS(=O)(=O)c1ccccc1)c1ccc(C(F)(F)F)o1.
What is the InChIKey of N-[2-[5-(trifluoromethyl)furan-2-yl]propan-2-yl]benzenesulfonamide?
The InChIKey is UZPRZGJDFJDPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO3S/c1-13(2,11-8-9-12(21-11)14(15,16)17)18-22(19,20)10-6-4-3-5-7-10/h3-9,18H,1-2H3.
What are the key properties of N-[2-[5-(trifluoromethyl)furan-2-yl]propan-2-yl]benzenesulfonamide?
N-[2-[5-(trifluoromethyl)furan-2-yl]propan-2-yl]benzenesulfonamide has a molecular weight of 333.33 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(trifluoromethyl)furan-2-yl]propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 135357174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).