3-methoxy-N-(2-oxo-1,3-dihydroindol-7-yl)thiophene-2-sulfonamide

C13H12N2O4S2 — CID 166369387

IUPAC3-methoxy-N-(2-oxo-1,3-dihydroindol-7-yl)thiophene-2-sulfonamide
SMILESCOc1ccsc1S(=O)(=O)Nc1cccc2c1NC(=O)C2
InChIInChI=1S/C13H12N2O4S2/c1-19-10-5-6-20-13(10)21(17,18)15-9-4-2-3-8-7-11(16)14-12(8)9/h2-6,15H,7H2,1H3,(H,14,16)
InChIKeyDZZQLCQSJPZNPM-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.05
Rot. Bonds4

About 3-methoxy-N-(2-oxo-1,3-dihydroindol-7-yl)thiophene-2-sulfonamide

3-methoxy-N-(2-oxo-1,3-dihydroindol-7-yl)thiophene-2-sulfonamide (PubChem CID 166369387) has the molecular formula C13H12N2O4S2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-methoxy-N-(2-oxo-1,3-dihydroindol-7-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-methoxy-N-(2-oxo-1,3-dihydroindol-7-yl)thiophene-2-sulfonamide
PubChem CID166369387
Molecular FormulaC13H12N2O4S2
Molecular Weight324.38 g/mol
Exact Mass324.02
IUPAC Name3-methoxy-N-(2-oxo-1,3-dihydroindol-7-yl)thiophene-2-sulfonamide
SMILESCOc1ccsc1S(=O)(=O)Nc1cccc2c1NC(=O)C2
InChIInChI=1S/C13H12N2O4S2/c1-19-10-5-6-20-13(10)21(17,18)15-9-4-2-3-8-7-11(16)14-12(8)9/h2-6,15H,7H2,1H3,(H,14,16)
InChIKeyDZZQLCQSJPZNPM-UHFFFAOYSA-N
XLogP2.05
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-oxo-1,3-dihydroindol-7-yl)thiophene-2-sulfonamide?
The IUPAC name of 3-methoxy-N-(2-oxo-1,3-dihydroindol-7-yl)thiophene-2-sulfonamide (CID 166369387) is 3-methoxy-N-(2-oxo-1,3-dihydroindol-7-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-methoxy-N-(2-oxo-1,3-dihydroindol-7-yl)thiophene-2-sulfonamide?
The canonical SMILES for 3-methoxy-N-(2-oxo-1,3-dihydroindol-7-yl)thiophene-2-sulfonamide is COc1ccsc1S(=O)(=O)Nc1cccc2c1NC(=O)C2.
What is the InChIKey of 3-methoxy-N-(2-oxo-1,3-dihydroindol-7-yl)thiophene-2-sulfonamide?
The InChIKey is DZZQLCQSJPZNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S2/c1-19-10-5-6-20-13(10)21(17,18)15-9-4-2-3-8-7-11(16)14-12(8)9/h2-6,15H,7H2,1H3,(H,14,16).
What are the key properties of 3-methoxy-N-(2-oxo-1,3-dihydroindol-7-yl)thiophene-2-sulfonamide?
3-methoxy-N-(2-oxo-1,3-dihydroindol-7-yl)thiophene-2-sulfonamide has a molecular weight of 324.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-oxo-1,3-dihydroindol-7-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 166369387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).