5-cyano-N-(4,4,4-trifluorobutyl)thiophene-2-sulfonamide

C9H9F3N2O2S2 — CID 114166332

IUPAC5-cyano-N-(4,4,4-trifluorobutyl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCCC(F)(F)F)s1
InChIInChI=1S/C9H9F3N2O2S2/c10-9(11,12)4-1-5-14-18(15,16)8-3-2-7(6-13)17-8/h2-3,14H,1,4-5H2
InChIKeyXGOXTEAEEJFAFN-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.24
Rot. Bonds5

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

5-cyano-N-(4,4,4-trifluorobutyl)thiophene-2-sulfonamide (PubChem CID 114166332) has the molecular formula C9H9F3N2O2S2 and a molecular weight of 298.31 g/mol. Its IUPAC name is 5-cyano-N-(4,4,4-trifluorobutyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(4,4,4-trifluorobutyl)thiophene-2-sulfonamide
PubChem CID114166332
Molecular FormulaC9H9F3N2O2S2
Molecular Weight298.31 g/mol
Exact Mass298.01
IUPAC Name5-cyano-N-(4,4,4-trifluorobutyl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCCC(F)(F)F)s1
InChIInChI=1S/C9H9F3N2O2S2/c10-9(11,12)4-1-5-14-18(15,16)8-3-2-7(6-13)17-8/h2-3,14H,1,4-5H2
InChIKeyXGOXTEAEEJFAFN-UHFFFAOYSA-N
XLogP2.24
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(4,4,4-trifluorobutyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(4,4,4-trifluorobutyl)thiophene-2-sulfonamide (CID 114166332) is 5-cyano-N-(4,4,4-trifluorobutyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(4,4,4-trifluorobutyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(4,4,4-trifluorobutyl)thiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)NCCCC(F)(F)F)s1.
What is the InChIKey of 5-cyano-N-(4,4,4-trifluorobutyl)thiophene-2-sulfonamide?
The InChIKey is XGOXTEAEEJFAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2S2/c10-9(11,12)4-1-5-14-18(15,16)8-3-2-7(6-13)17-8/h2-3,14H,1,4-5H2.
What are the key properties of 5-cyano-N-(4,4,4-trifluorobutyl)thiophene-2-sulfonamide?
5-cyano-N-(4,4,4-trifluorobutyl)thiophene-2-sulfonamide has a molecular weight of 298.31 g/mol, XLogP of 2.24, 5 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-trifluorobutyl)thiophene-2-sulfonamide is sourced from PubChem (CID 114166332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).