5-cyano-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide

C8H8F2N2O3S2 — CID 114166516

IUPAC5-cyano-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCC(F)(F)CO)s1
InChIInChI=1S/C8H8F2N2O3S2/c9-8(10,5-13)4-12-17(14,15)7-2-1-6(3-11)16-7/h1-2,12-13H,4-5H2
InChIKeyPJWDYJPJANOOSZ-UHFFFAOYSA-N
MW282.29 g/mol
LogP0.53
Rot. Bonds5

About 5-cyano-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide

5-cyano-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide (PubChem CID 114166516) has the molecular formula C8H8F2N2O3S2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 5-cyano-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide
PubChem CID114166516
Molecular FormulaC8H8F2N2O3S2
Molecular Weight282.29 g/mol
Exact Mass281.99
IUPAC Name5-cyano-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCC(F)(F)CO)s1
InChIInChI=1S/C8H8F2N2O3S2/c9-8(10,5-13)4-12-17(14,15)7-2-1-6(3-11)16-7/h1-2,12-13H,4-5H2
InChIKeyPJWDYJPJANOOSZ-UHFFFAOYSA-N
XLogP0.53
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267146
5-chloro-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide
CID 104858721
5-cyano-N-(2-methyl-2-methylsulfonylpropyl)thiophene-2-sulfonamide
CID 106268602
5-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide
CID 106428781
5-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide
CID 106268267
5-cyano-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
CID 106267494
6-cyano-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-sulfonamide
CID 113462897
5-cyano-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 106272347
N-butyl-5-cyanothiophene-2-sulfonamide
CID 106266954
5-cyano-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 106266850
2-[(5-cyanothiophen-2-yl)sulfonylamino]ethyl carbamate
CID 114166352
3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylpropanoic acid
CID 106265542

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide (CID 114166516) is 5-cyano-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)NCC(F)(F)CO)s1.
What is the InChIKey of 5-cyano-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide?
The InChIKey is PJWDYJPJANOOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O3S2/c9-8(10,5-13)4-12-17(14,15)7-2-1-6(3-11)16-7/h1-2,12-13H,4-5H2.
What are the key properties of 5-cyano-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide?
5-cyano-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide has a molecular weight of 282.29 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 114166516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).