5-cyano-N-(4,4,4-trifluorobutan-2-yl)thiophene-2-sulfonamide

C9H9F3N2O2S2 — CID 114166506

IUPAC5-cyano-N-(4,4,4-trifluorobutan-2-yl)thiophene-2-sulfonamide
SMILESCC(CC(F)(F)F)NS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C9H9F3N2O2S2/c1-6(4-9(10,11)12)14-18(15,16)8-3-2-7(5-13)17-8/h2-3,6,14H,4H2,1H3
InChIKeyQRFYXAMMNXNZON-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.24
Rot. Bonds4

About 5-cyano-N-(4,4,4-trifluorobutan-2-yl)thiophene-2-sulfonamide

5-cyano-N-(4,4,4-trifluorobutan-2-yl)thiophene-2-sulfonamide (PubChem CID 114166506) has the molecular formula C9H9F3N2O2S2 and a molecular weight of 298.31 g/mol. Its IUPAC name is 5-cyano-N-(4,4,4-trifluorobutan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(4,4,4-trifluorobutan-2-yl)thiophene-2-sulfonamide
PubChem CID114166506
Molecular FormulaC9H9F3N2O2S2
Molecular Weight298.31 g/mol
Exact Mass298.01
IUPAC Name5-cyano-N-(4,4,4-trifluorobutan-2-yl)thiophene-2-sulfonamide
SMILESCC(CC(F)(F)F)NS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C9H9F3N2O2S2/c1-6(4-9(10,11)12)14-18(15,16)8-3-2-7(5-13)17-8/h2-3,6,14H,4H2,1H3
InChIKeyQRFYXAMMNXNZON-UHFFFAOYSA-N
XLogP2.24
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(4,4,4-trifluorobutan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(4,4,4-trifluorobutan-2-yl)thiophene-2-sulfonamide (CID 114166506) is 5-cyano-N-(4,4,4-trifluorobutan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(4,4,4-trifluorobutan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(4,4,4-trifluorobutan-2-yl)thiophene-2-sulfonamide is CC(CC(F)(F)F)NS(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-(4,4,4-trifluorobutan-2-yl)thiophene-2-sulfonamide?
The InChIKey is QRFYXAMMNXNZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2S2/c1-6(4-9(10,11)12)14-18(15,16)8-3-2-7(5-13)17-8/h2-3,6,14H,4H2,1H3.
What are the key properties of 5-cyano-N-(4,4,4-trifluorobutan-2-yl)thiophene-2-sulfonamide?
5-cyano-N-(4,4,4-trifluorobutan-2-yl)thiophene-2-sulfonamide has a molecular weight of 298.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(4,4,4-trifluorobutan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 114166506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).