5-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-sulfonamide

C9H10F2N2O3S2 — CID 106269353

IUPAC5-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)N(CCO)CC(F)F)s1
InChIInChI=1S/C9H10F2N2O3S2/c10-8(11)6-13(3-4-14)18(15,16)9-2-1-7(5-12)17-9/h1-2,8,14H,3-4,6H2
InChIKeyRERVRWFPVIRFLP-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.87
Rot. Bonds6

About 5-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-sulfonamide

5-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-sulfonamide (PubChem CID 106269353) has the molecular formula C9H10F2N2O3S2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 5-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-sulfonamide
PubChem CID106269353
Molecular FormulaC9H10F2N2O3S2
Molecular Weight296.32 g/mol
Exact Mass296.01
IUPAC Name5-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)N(CCO)CC(F)F)s1
InChIInChI=1S/C9H10F2N2O3S2/c10-8(11)6-13(3-4-14)18(15,16)9-2-1-7(5-12)17-9/h1-2,8,14H,3-4,6H2
InChIKeyRERVRWFPVIRFLP-UHFFFAOYSA-N
XLogP0.87
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-{3-[2-Hydroxyethyl(methyl)amino]prop-1-yn-1-yl}thiophene-2-sulfonamide
CID 129877743
2-[(5-Cyanothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 106265724
5-cyano-N-(2,2,2-trifluoroethoxy)thiophene-2-sulfonamide
CID 106266014
5-cyano-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267435
5-cyano-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267890
5-cyano-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267891
5-cyano-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267892
5-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]sulfonylthiophene-2-carbonitrile
CID 106268136
5-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide
CID 106268267
5-cyano-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 106268445
5-cyano-N-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide
CID 106269106
5-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106269356

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-sulfonamide (CID 106269353) is 5-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)N(CCO)CC(F)F)s1.
What is the InChIKey of 5-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-sulfonamide?
The InChIKey is RERVRWFPVIRFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3S2/c10-8(11)6-13(3-4-14)18(15,16)9-2-1-7(5-12)17-9/h1-2,8,14H,3-4,6H2.
What are the key properties of 5-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-sulfonamide?
5-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-sulfonamide has a molecular weight of 296.32 g/mol, XLogP of 0.87, 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-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106269353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).