5-cyano-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide

C10H12N2O4S3 — CID 106267400

IUPAC5-cyano-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CCS(=O)(=O)CC2)s1
InChIInChI=1S/C10H12N2O4S3/c11-7-9-1-2-10(17-9)19(15,16)12-8-3-5-18(13,14)6-4-8/h1-2,8,12H,3-6H2
InChIKeyGMLZXTZWLIDYKP-UHFFFAOYSA-N
MW320.42 g/mol
LogP0.48
Rot. Bonds3

About 5-cyano-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide

5-cyano-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide (PubChem CID 106267400) has the molecular formula C10H12N2O4S3 and a molecular weight of 320.42 g/mol. Its IUPAC name is 5-cyano-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide
PubChem CID106267400
Molecular FormulaC10H12N2O4S3
Molecular Weight320.42 g/mol
Exact Mass320.00
IUPAC Name5-cyano-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CCS(=O)(=O)CC2)s1
InChIInChI=1S/C10H12N2O4S3/c11-7-9-1-2-10(17-9)19(15,16)12-8-3-5-18(13,14)6-4-8/h1-2,8,12H,3-6H2
InChIKeyGMLZXTZWLIDYKP-UHFFFAOYSA-N
XLogP0.48
TPSA104.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide (CID 106267400) is 5-cyano-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)NC2CCS(=O)(=O)CC2)s1.
What is the InChIKey of 5-cyano-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide?
The InChIKey is GMLZXTZWLIDYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S3/c11-7-9-1-2-10(17-9)19(15,16)12-8-3-5-18(13,14)6-4-8/h1-2,8,12H,3-6H2.
What are the key properties of 5-cyano-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide?
5-cyano-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide has a molecular weight of 320.42 g/mol, XLogP of 0.48, 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-dioxothian-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106267400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).