9-(benzenesulfonyl)-9H-xanthene

C19H14O3S — CID 5095268

IUPAC9-(benzenesulfonyl)-9H-xanthene
SMILESO=S(=O)(c1ccccc1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H14O3S/c20-23(21,14-8-2-1-3-9-14)19-15-10-4-6-12-17(15)22-18-13-7-5-11-16(18)19/h1-13,19H
InChIKeyVNESCOZPINJUNK-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.36
Rot. Bonds2

About 9-(benzenesulfonyl)-9H-xanthene

9-(benzenesulfonyl)-9H-xanthene (PubChem CID 5095268) has the molecular formula C19H14O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 9-(benzenesulfonyl)-9H-xanthene.

Molecular Properties

Compound Name9-(benzenesulfonyl)-9H-xanthene
PubChem CID5095268
Molecular FormulaC19H14O3S
Molecular Weight322.39 g/mol
Exact Mass322.07
IUPAC Name9-(benzenesulfonyl)-9H-xanthene
SMILESO=S(=O)(c1ccccc1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H14O3S/c20-23(21,14-8-2-1-3-9-14)19-15-10-4-6-12-17(15)22-18-13-7-5-11-16(18)19/h1-13,19H
InChIKeyVNESCOZPINJUNK-UHFFFAOYSA-N
XLogP4.36
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(benzenesulfonyl)-9H-xanthene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(benzenesulfonyl)-9H-xanthene?
The IUPAC name of 9-(benzenesulfonyl)-9H-xanthene (CID 5095268) is 9-(benzenesulfonyl)-9H-xanthene.
What is the SMILES notation for 9-(benzenesulfonyl)-9H-xanthene?
The canonical SMILES for 9-(benzenesulfonyl)-9H-xanthene is O=S(=O)(c1ccccc1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of 9-(benzenesulfonyl)-9H-xanthene?
The InChIKey is VNESCOZPINJUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O3S/c20-23(21,14-8-2-1-3-9-14)19-15-10-4-6-12-17(15)22-18-13-7-5-11-16(18)19/h1-13,19H.
What are the key properties of 9-(benzenesulfonyl)-9H-xanthene?
9-(benzenesulfonyl)-9H-xanthene has a molecular weight of 322.39 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzenesulfonyl)-9H-xanthene is sourced from PubChem (CID 5095268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).