N-(1,1,1-trifluoropropan-2-yl)pent-2-ene-3-sulfonamide

C8H14F3NO2S — CID 91217457

IUPACN-(1,1,1-trifluoropropan-2-yl)pent-2-ene-3-sulfonamide
SMILESCC=C(CC)S(=O)(=O)NC(C)C(F)(F)F
InChIInChI=1S/C8H14F3NO2S/c1-4-7(5-2)15(13,14)12-6(3)8(9,10)11/h4,6,12H,5H2,1-3H3
InChIKeyLYJMTMKVSGTHLC-UHFFFAOYSA-N
MW245.27 g/mol
LogP2.17
Rot. Bonds4

About N-(1,1,1-trifluoropropan-2-yl)pent-2-ene-3-sulfonamide

N-(1,1,1-trifluoropropan-2-yl)pent-2-ene-3-sulfonamide (PubChem CID 91217457) has the molecular formula C8H14F3NO2S and a molecular weight of 245.27 g/mol. Its IUPAC name is N-(1,1,1-trifluoropropan-2-yl)pent-2-ene-3-sulfonamide.

Molecular Properties

Compound NameN-(1,1,1-trifluoropropan-2-yl)pent-2-ene-3-sulfonamide
PubChem CID91217457
Molecular FormulaC8H14F3NO2S
Molecular Weight245.27 g/mol
Exact Mass245.07
IUPAC NameN-(1,1,1-trifluoropropan-2-yl)pent-2-ene-3-sulfonamide
SMILESCC=C(CC)S(=O)(=O)NC(C)C(F)(F)F
InChIInChI=1S/C8H14F3NO2S/c1-4-7(5-2)15(13,14)12-6(3)8(9,10)11/h4,6,12H,5H2,1-3H3
InChIKeyLYJMTMKVSGTHLC-UHFFFAOYSA-N
XLogP2.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methylpent-3-en-2-amine;trifluoromethanesulfonamide
CID 87993169
N-(1,1,1-trifluoropropan-2-yl)penta-1,3-diene-3-sulfonamide
CID 91254200
1,1,1-trifluoro-N-[(E)-pent-3-enyl]methanesulfonamide
CID 116033428
5-prop-1-en-2-yl-N-(1,1,1-trifluoropropan-2-yl)octa-2,4,6-triene-4-sulfonamide
CID 123347096
4-methyl-N-(1,1,1-trifluoropropan-2-yl)hepta-1,3,5-triene-3-sulfonamide
CID 123537012
(4E)-3-fluoro-2-methyl-N-propan-2-ylhexa-1,4-diene-3-sulfonamide
CID 169660508
1,1-difluoro-N-methylpent-2-ene-1-sulfonamide
CID 91325730
1,1-difluoro-N-[(E)-pent-3-enyl]methanesulfonamide
CID 115628751
4,4,4-trifluoro-N-[(E)-pent-3-enyl]butane-1-sulfonamide
CID 115967652
1,1,1-trifluoro-N-[(E)-3-triethylgermylpent-3-enyl]methanesulfonamide
CID 122366096
(E)-N-ethylhex-3-ene-3-sulfonamide
CID 155115338
N-propan-2-ylcyclopentene-1-sulfonamide
CID 155332301

Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluoropropan-2-yl)pent-2-ene-3-sulfonamide?
The IUPAC name of N-(1,1,1-trifluoropropan-2-yl)pent-2-ene-3-sulfonamide (CID 91217457) is N-(1,1,1-trifluoropropan-2-yl)pent-2-ene-3-sulfonamide.
What is the SMILES notation for N-(1,1,1-trifluoropropan-2-yl)pent-2-ene-3-sulfonamide?
The canonical SMILES for N-(1,1,1-trifluoropropan-2-yl)pent-2-ene-3-sulfonamide is CC=C(CC)S(=O)(=O)NC(C)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoropropan-2-yl)pent-2-ene-3-sulfonamide?
The InChIKey is LYJMTMKVSGTHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2S/c1-4-7(5-2)15(13,14)12-6(3)8(9,10)11/h4,6,12H,5H2,1-3H3.
What are the key properties of N-(1,1,1-trifluoropropan-2-yl)pent-2-ene-3-sulfonamide?
N-(1,1,1-trifluoropropan-2-yl)pent-2-ene-3-sulfonamide has a molecular weight of 245.27 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoropropan-2-yl)pent-2-ene-3-sulfonamide is sourced from PubChem (CID 91217457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).