5-cyano-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

C10H11F3N2O2S2 — CID 106267892

IUPAC5-cyano-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C10H11F3N2O2S2/c1-7(2)15(6-10(11,12)13)19(16,17)9-4-3-8(5-14)18-9/h3-4,7H,6H2,1-2H3
InChIKeyIOPUKYWNROSTHR-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.58
Rot. Bonds4

About 5-cyano-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

5-cyano-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (PubChem CID 106267892) has the molecular formula C10H11F3N2O2S2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 5-cyano-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
PubChem CID106267892
Molecular FormulaC10H11F3N2O2S2
Molecular Weight312.34 g/mol
Exact Mass312.02
IUPAC Name5-cyano-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C10H11F3N2O2S2/c1-7(2)15(6-10(11,12)13)19(16,17)9-4-3-8(5-14)18-9/h3-4,7H,6H2,1-2H3
InChIKeyIOPUKYWNROSTHR-UHFFFAOYSA-N
XLogP2.58
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylthiophene-2-sulfonamide
CID 106269281
methyl 2-[(5-cyanothiophen-2-yl)sulfonyl-propan-2-ylamino]acetate
CID 106267874
5-cyano-N-ethyl-N-methylthiophene-2-sulfonamide
CID 106267270
5-cyano-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 114166213
5-cyano-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-sulfonamide
CID 106267815
5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267146
5-cyano-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide
CID 106269325
2-[(5-cyanothiophen-2-yl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide
CID 106268960
5-cyano-N-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide
CID 106267582
5-cyano-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-sulfonamide
CID 106268641
5-cyano-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 106267459
5-cyano-N-methyl-N-[3-(methylamino)propyl]thiophene-2-sulfonamide
CID 106266702

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (CID 106267892) is 5-cyano-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is CC(C)N(CC(F)(F)F)S(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The InChIKey is IOPUKYWNROSTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2S2/c1-7(2)15(6-10(11,12)13)19(16,17)9-4-3-8(5-14)18-9/h3-4,7H,6H2,1-2H3.
What are the key properties of 5-cyano-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
5-cyano-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide has a molecular weight of 312.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106267892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).