5-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide

C9H9F3N2O3S2 — CID 106268267

IUPAC5-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCOCC(F)(F)F)s1
InChIInChI=1S/C9H9F3N2O3S2/c10-9(11,12)6-17-4-3-14-19(15,16)8-2-1-7(5-13)18-8/h1-2,14H,3-4,6H2
InChIKeyBZSKFLONQWFCBE-UHFFFAOYSA-N
MW314.31 g/mol
LogP1.48
Rot. Bonds6

About 5-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide

5-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide (PubChem CID 106268267) has the molecular formula C9H9F3N2O3S2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 5-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide
PubChem CID106268267
Molecular FormulaC9H9F3N2O3S2
Molecular Weight314.31 g/mol
Exact Mass314.00
IUPAC Name5-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCOCC(F)(F)F)s1
InChIInChI=1S/C9H9F3N2O3S2/c10-9(11,12)6-17-4-3-14-19(15,16)8-2-1-7(5-13)18-8/h1-2,14H,3-4,6H2
InChIKeyBZSKFLONQWFCBE-UHFFFAOYSA-N
XLogP1.48
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267146
2-[(5-cyanothiophen-2-yl)sulfonylamino]ethyl carbamate
CID 114166352
5-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide
CID 106428781
5-cyano-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide
CID 114166516
N-butyl-5-cyanothiophene-2-sulfonamide
CID 106266954
5-cyano-N-(3-methylsulfonylpropyl)thiophene-2-sulfonamide
CID 114166224
5-cyano-N-decylthiophene-2-sulfonamide
CID 106268639
5-cyano-N-(3-cyclopentylpropyl)thiophene-2-sulfonamide
CID 106269784
4-methyl-5-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide
CID 106064620
5-cyano-N-(2-methyl-2-methylsulfonylpropyl)thiophene-2-sulfonamide
CID 106268602
5-cyano-N-(2-ethylsulfinylethyl)thiophene-2-sulfonamide
CID 114166393
5-cyano-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
CID 106267494

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide (CID 106268267) is 5-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)NCCOCC(F)(F)F)s1.
What is the InChIKey of 5-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide?
The InChIKey is BZSKFLONQWFCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3S2/c10-9(11,12)6-17-4-3-14-19(15,16)8-2-1-7(5-13)18-8/h1-2,14H,3-4,6H2.
What are the key properties of 5-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide?
5-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide has a molecular weight of 314.31 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106268267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).