6,7,8,9-tetrahydrodibenzothiophene-3-sulfonamide

C12H13NO2S2 — CID 141017575

IUPAC6,7,8,9-tetrahydrodibenzothiophene-3-sulfonamide
SMILESNS(=O)(=O)c1ccc2c3c(sc2c1)CCCC3
InChIInChI=1S/C12H13NO2S2/c13-17(14,15)8-5-6-10-9-3-1-2-4-11(9)16-12(10)7-8/h5-7H,1-4H2,(H2,13,14,15)
InChIKeyNDGCYPYIZGXHJC-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.43
Rot. Bonds1

About 6,7,8,9-tetrahydrodibenzothiophene-3-sulfonamide

6,7,8,9-tetrahydrodibenzothiophene-3-sulfonamide (PubChem CID 141017575) has the molecular formula C12H13NO2S2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 6,7,8,9-tetrahydrodibenzothiophene-3-sulfonamide.

Molecular Properties

Compound Name6,7,8,9-tetrahydrodibenzothiophene-3-sulfonamide
PubChem CID141017575
Molecular FormulaC12H13NO2S2
Molecular Weight267.37 g/mol
Exact Mass267.04
IUPAC Name6,7,8,9-tetrahydrodibenzothiophene-3-sulfonamide
SMILESNS(=O)(=O)c1ccc2c3c(sc2c1)CCCC3
InChIInChI=1S/C12H13NO2S2/c13-17(14,15)8-5-6-10-9-3-1-2-4-11(9)16-12(10)7-8/h5-7H,1-4H2,(H2,13,14,15)
InChIKeyNDGCYPYIZGXHJC-UHFFFAOYSA-N
XLogP2.43
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydrodibenzothiophene-3-sulfonamide?
The IUPAC name of 6,7,8,9-tetrahydrodibenzothiophene-3-sulfonamide (CID 141017575) is 6,7,8,9-tetrahydrodibenzothiophene-3-sulfonamide.
What is the SMILES notation for 6,7,8,9-tetrahydrodibenzothiophene-3-sulfonamide?
The canonical SMILES for 6,7,8,9-tetrahydrodibenzothiophene-3-sulfonamide is NS(=O)(=O)c1ccc2c3c(sc2c1)CCCC3.
What is the InChIKey of 6,7,8,9-tetrahydrodibenzothiophene-3-sulfonamide?
The InChIKey is NDGCYPYIZGXHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S2/c13-17(14,15)8-5-6-10-9-3-1-2-4-11(9)16-12(10)7-8/h5-7H,1-4H2,(H2,13,14,15).
What are the key properties of 6,7,8,9-tetrahydrodibenzothiophene-3-sulfonamide?
6,7,8,9-tetrahydrodibenzothiophene-3-sulfonamide has a molecular weight of 267.37 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydrodibenzothiophene-3-sulfonamide is sourced from PubChem (CID 141017575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).