2-N-(thiophen-2-ylmethyl)thiophene-2,5-disulfonamide

C9H10N2O4S4 — CID 4293

IUPAC2-N-(thiophen-2-ylmethyl)thiophene-2,5-disulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)NCc2cccs2)s1
InChIInChI=1S/C9H10N2O4S4/c10-18(12,13)8-3-4-9(17-8)19(14,15)11-6-7-2-1-5-16-7/h1-5,11H,6H2,(H2,10,12,13)
InChIKeySTOTVDLYLKWVJB-UHFFFAOYSA-N
MW338.46 g/mol
LogP0.94
Rot. Bonds5

About 2-N-(thiophen-2-ylmethyl)thiophene-2,5-disulfonamide

2-N-(thiophen-2-ylmethyl)thiophene-2,5-disulfonamide (PubChem CID 4293) has the molecular formula C9H10N2O4S4 and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-N-(thiophen-2-ylmethyl)thiophene-2,5-disulfonamide.

Molecular Properties

Compound Name2-N-(thiophen-2-ylmethyl)thiophene-2,5-disulfonamide
PubChem CID4293
Molecular FormulaC9H10N2O4S4
Molecular Weight338.46 g/mol
Exact Mass337.95
IUPAC Name2-N-(thiophen-2-ylmethyl)thiophene-2,5-disulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)NCc2cccs2)s1
InChIInChI=1S/C9H10N2O4S4/c10-18(12,13)8-3-4-9(17-8)19(14,15)11-6-7-2-1-5-16-7/h1-5,11H,6H2,(H2,10,12,13)
InChIKeySTOTVDLYLKWVJB-UHFFFAOYSA-N
XLogP0.94
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(thiophen-2-ylmethyl)thiophene-2,5-disulfonamide?
The IUPAC name of 2-N-(thiophen-2-ylmethyl)thiophene-2,5-disulfonamide (CID 4293) is 2-N-(thiophen-2-ylmethyl)thiophene-2,5-disulfonamide.
What is the SMILES notation for 2-N-(thiophen-2-ylmethyl)thiophene-2,5-disulfonamide?
The canonical SMILES for 2-N-(thiophen-2-ylmethyl)thiophene-2,5-disulfonamide is NS(=O)(=O)c1ccc(S(=O)(=O)NCc2cccs2)s1.
What is the InChIKey of 2-N-(thiophen-2-ylmethyl)thiophene-2,5-disulfonamide?
The InChIKey is STOTVDLYLKWVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4S4/c10-18(12,13)8-3-4-9(17-8)19(14,15)11-6-7-2-1-5-16-7/h1-5,11H,6H2,(H2,10,12,13).
What are the key properties of 2-N-(thiophen-2-ylmethyl)thiophene-2,5-disulfonamide?
2-N-(thiophen-2-ylmethyl)thiophene-2,5-disulfonamide has a molecular weight of 338.46 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(thiophen-2-ylmethyl)thiophene-2,5-disulfonamide is sourced from PubChem (CID 4293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).