dibenzothiophene-4-sulfonamide

C12H9NO2S2 — CID 150056476

IUPACdibenzothiophene-4-sulfonamide
SMILESNS(=O)(=O)c1cccc2c1sc1ccccc12
InChIInChI=1S/C12H9NO2S2/c13-17(14,15)11-7-3-5-9-8-4-1-2-6-10(8)16-12(9)11/h1-7H,(H2,13,14,15)
InChIKeyDMKLXHGLWZSORD-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.70
Rot. Bonds1

About dibenzothiophene-4-sulfonamide

dibenzothiophene-4-sulfonamide (PubChem CID 150056476) has the molecular formula C12H9NO2S2 and a molecular weight of 263.34 g/mol. Its IUPAC name is dibenzothiophene-4-sulfonamide.

Molecular Properties

Compound Namedibenzothiophene-4-sulfonamide
PubChem CID150056476
Molecular FormulaC12H9NO2S2
Molecular Weight263.34 g/mol
Exact Mass263.01
IUPAC Namedibenzothiophene-4-sulfonamide
SMILESNS(=O)(=O)c1cccc2c1sc1ccccc12
InChIInChI=1S/C12H9NO2S2/c13-17(14,15)11-7-3-5-9-8-4-1-2-6-10(8)16-12(9)11/h1-7H,(H2,13,14,15)
InChIKeyDMKLXHGLWZSORD-UHFFFAOYSA-N
XLogP2.70
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tetra(dibenzothiophen-4-yl)-λ4-sulfane
CID 134590724
4-triphenylen-2-ylsulfonyldibenzothiophene
CID 163774217
3,26-dithiaheptacyclo[13.11.1.12,10.04,9.019,27.020,25.014,28]octacosa-1,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tridecaene
CID 149009096
azane;naphthalene-1-sulfonamide
CID 174765300
1,3-di(dibenzothiophen-4-yl)-2-[1,3-di(dibenzothiophen-4-yl)imidazolidin-2-ylidene]imidazolidine
CID 118133826
2-dibenzothiophen-4-ylaniline
CID 58050240
4-cyclopropyldibenzothiophene
CID 54752889
ethane;4-ethyldibenzothiophene
CID 123227550
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
dibenzothiophene;formaldehyde
CID 20556925
dibenzothiophene;methane
CID 162233710
N-ethyldibenzothiophen-4-amine
CID 166464988

Frequently Asked Questions

What is the IUPAC name of dibenzothiophene-4-sulfonamide?
The IUPAC name of dibenzothiophene-4-sulfonamide (CID 150056476) is dibenzothiophene-4-sulfonamide.
What is the SMILES notation for dibenzothiophene-4-sulfonamide?
The canonical SMILES for dibenzothiophene-4-sulfonamide is NS(=O)(=O)c1cccc2c1sc1ccccc12.
What is the InChIKey of dibenzothiophene-4-sulfonamide?
The InChIKey is DMKLXHGLWZSORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2S2/c13-17(14,15)11-7-3-5-9-8-4-1-2-6-10(8)16-12(9)11/h1-7H,(H2,13,14,15).
What are the key properties of dibenzothiophene-4-sulfonamide?
dibenzothiophene-4-sulfonamide has a molecular weight of 263.34 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzothiophene-4-sulfonamide is sourced from PubChem (CID 150056476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).