5-cyano-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide

C9H9F3N2O2S2 — CID 106268445

IUPAC5-cyano-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
SMILESCN(CCC(F)(F)F)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C9H9F3N2O2S2/c1-14(5-4-9(10,11)12)18(15,16)8-3-2-7(6-13)17-8/h2-3H,4-5H2,1H3
InChIKeyKOHWTMHSZCHRJS-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.19
Rot. Bonds4

About 5-cyano-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide

5-cyano-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide (PubChem CID 106268445) has the molecular formula C9H9F3N2O2S2 and a molecular weight of 298.31 g/mol. Its IUPAC name is 5-cyano-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
PubChem CID106268445
Molecular FormulaC9H9F3N2O2S2
Molecular Weight298.31 g/mol
Exact Mass298.01
IUPAC Name5-cyano-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
SMILESCN(CCC(F)(F)F)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C9H9F3N2O2S2/c1-14(5-4-9(10,11)12)18(15,16)8-3-2-7(6-13)17-8/h2-3H,4-5H2,1H3
InChIKeyKOHWTMHSZCHRJS-UHFFFAOYSA-N
XLogP2.19
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide (CID 106268445) is 5-cyano-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide is CN(CCC(F)(F)F)S(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide?
The InChIKey is KOHWTMHSZCHRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2S2/c1-14(5-4-9(10,11)12)18(15,16)8-3-2-7(6-13)17-8/h2-3H,4-5H2,1H3.
What are the key properties of 5-cyano-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide?
5-cyano-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide has a molecular weight of 298.31 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106268445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).