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

C8H7F3N2O2S3 — CID 106428781

IUPAC5-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCSC(F)(F)F)s1
InChIInChI=1S/C8H7F3N2O2S3/c9-8(10,11)16-4-3-13-18(14,15)7-2-1-6(5-12)17-7/h1-2,13H,3-4H2
InChIKeyAQRYZZRIRBDCOC-UHFFFAOYSA-N
MW316.35 g/mol
LogP2.15
Rot. Bonds5

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

5-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide (PubChem CID 106428781) has the molecular formula C8H7F3N2O2S3 and a molecular weight of 316.35 g/mol. Its IUPAC name is 5-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide
PubChem CID106428781
Molecular FormulaC8H7F3N2O2S3
Molecular Weight316.35 g/mol
Exact Mass315.96
IUPAC Name5-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCSC(F)(F)F)s1
InChIInChI=1S/C8H7F3N2O2S3/c9-8(10,11)16-4-3-13-18(14,15)7-2-1-6(5-12)17-7/h1-2,13H,3-4H2
InChIKeyAQRYZZRIRBDCOC-UHFFFAOYSA-N
XLogP2.15
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 52.15
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
5-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide
CID 106268267
5-cyano-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide
CID 114166516
N-butyl-5-cyanothiophene-2-sulfonamide
CID 106266954
5-cyano-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
CID 106267494
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
5-cyano-N-(2-methyl-2-methylsulfonylpropyl)thiophene-2-sulfonamide
CID 106268602
2-[(5-cyanothiophen-2-yl)sulfonylamino]ethyl carbamate
CID 114166352
5-cyano-N-(2-ethylsulfinylethyl)thiophene-2-sulfonamide
CID 114166393
4-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylbutanoic acid
CID 106265760

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide (CID 106428781) is 5-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)NCCSC(F)(F)F)s1.
What is the InChIKey of 5-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is AQRYZZRIRBDCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2S3/c9-8(10,11)16-4-3-13-18(14,15)7-2-1-6(5-12)17-7/h1-2,13H,3-4H2.
What are the key properties of 5-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide?
5-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 316.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106428781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).