5-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thiophene-2-sulfonamide

C9H8N2O4S3 — CID 106269470

IUPAC5-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2C=CS(=O)(=O)C2)s1
InChIInChI=1S/C9H8N2O4S3/c10-5-8-1-2-9(16-8)18(14,15)11-7-3-4-17(12,13)6-7/h1-4,7,11H,6H2
InChIKeyPYBWGCFLPNGLBQ-UHFFFAOYSA-N
MW304.37 g/mol
LogP0.21
Rot. Bonds3

About 5-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thiophene-2-sulfonamide

5-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thiophene-2-sulfonamide (PubChem CID 106269470) has the molecular formula C9H8N2O4S3 and a molecular weight of 304.37 g/mol. Its IUPAC name is 5-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thiophene-2-sulfonamide
PubChem CID106269470
Molecular FormulaC9H8N2O4S3
Molecular Weight304.37 g/mol
Exact Mass303.96
IUPAC Name5-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2C=CS(=O)(=O)C2)s1
InChIInChI=1S/C9H8N2O4S3/c10-5-8-1-2-9(16-8)18(14,15)11-7-3-4-17(12,13)6-7/h1-4,7,11H,6H2
InChIKeyPYBWGCFLPNGLBQ-UHFFFAOYSA-N
XLogP0.21
TPSA104.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-5-methyl-2-thiophenesulfonamide
CID 2241003
5-(2-Ethanesulfonamidoethyl)thiophene-2-sulfonamide
CID 43134135
N-(1,1-dioxothiolan-3-yl)-2,5-dimethylthiophene-3-sulfonamide
CID 45795092
N-[(1S)-1-cyanobutyl]-5-ethylthiophene-2-sulfonamide
CID 93871061
5-cyano-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 106268196
5-cyano-N-(2,2-difluoroethyl)thiophene-2-sulfonamide
CID 106268767
5-cyano-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide
CID 106268773
5-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide
CID 106428781
5-cyano-N-(4,4,4-trifluorobutyl)thiophene-2-sulfonamide
CID 114166332
5-cyano-N-(4,4,4-trifluorobutan-2-yl)thiophene-2-sulfonamide
CID 114166506
N-(3-amino-2,2-difluoropropyl)-5-cyanothiophene-2-sulfonamide
CID 114166912
N-(1-cyanobutyl)-5-ethylthiophene-2-sulfonamide
CID 54947421

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thiophene-2-sulfonamide (CID 106269470) is 5-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)NC2C=CS(=O)(=O)C2)s1.
What is the InChIKey of 5-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thiophene-2-sulfonamide?
The InChIKey is PYBWGCFLPNGLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4S3/c10-5-8-1-2-9(16-8)18(14,15)11-7-3-4-17(12,13)6-7/h1-4,7,11H,6H2.
What are the key properties of 5-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thiophene-2-sulfonamide?
5-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thiophene-2-sulfonamide has a molecular weight of 304.37 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106269470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).