N,N-dimethyl-9-oxothioxanthene-2-sulfonamide

C15H13NO3S2 — CID 641263

IUPACN,N-dimethyl-9-oxothioxanthene-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2sc3ccccc3c(=O)c2c1
InChIInChI=1S/C15H13NO3S2/c1-16(2)21(18,19)10-7-8-14-12(9-10)15(17)11-5-3-4-6-13(11)20-14/h3-9H,1-2H3
InChIKeyLSCIJUOPVFDTTJ-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.66
Rot. Bonds2

About N,N-dimethyl-9-oxothioxanthene-2-sulfonamide

N,N-dimethyl-9-oxothioxanthene-2-sulfonamide (PubChem CID 641263) has the molecular formula C15H13NO3S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N,N-dimethyl-9-oxothioxanthene-2-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-9-oxothioxanthene-2-sulfonamide
PubChem CID641263
Molecular FormulaC15H13NO3S2
Molecular Weight319.41 g/mol
Exact Mass319.03
IUPAC NameN,N-dimethyl-9-oxothioxanthene-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2sc3ccccc3c(=O)c2c1
InChIInChI=1S/C15H13NO3S2/c1-16(2)21(18,19)10-7-8-14-12(9-10)15(17)11-5-3-4-6-13(11)20-14/h3-9H,1-2H3
InChIKeyLSCIJUOPVFDTTJ-UHFFFAOYSA-N
XLogP2.66
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-9-oxothioxanthene-2-sulfonamide?
The IUPAC name of N,N-dimethyl-9-oxothioxanthene-2-sulfonamide (CID 641263) is N,N-dimethyl-9-oxothioxanthene-2-sulfonamide.
What is the SMILES notation for N,N-dimethyl-9-oxothioxanthene-2-sulfonamide?
The canonical SMILES for N,N-dimethyl-9-oxothioxanthene-2-sulfonamide is CN(C)S(=O)(=O)c1ccc2sc3ccccc3c(=O)c2c1.
What is the InChIKey of N,N-dimethyl-9-oxothioxanthene-2-sulfonamide?
The InChIKey is LSCIJUOPVFDTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S2/c1-16(2)21(18,19)10-7-8-14-12(9-10)15(17)11-5-3-4-6-13(11)20-14/h3-9H,1-2H3.
What are the key properties of N,N-dimethyl-9-oxothioxanthene-2-sulfonamide?
N,N-dimethyl-9-oxothioxanthene-2-sulfonamide has a molecular weight of 319.41 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-9-oxothioxanthene-2-sulfonamide is sourced from PubChem (CID 641263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).