7-(benzenesulfonyl)-2,2-dimethyl-4-methylidene-3H-chromene

C18H18O3S — CID 89271149

IUPAC7-(benzenesulfonyl)-2,2-dimethyl-4-methylidene-3H-chromene
SMILESC=C1CC(C)(C)Oc2cc(S(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C18H18O3S/c1-13-12-18(2,3)21-17-11-15(9-10-16(13)17)22(19,20)14-7-5-4-6-8-14/h4-11H,1,12H2,2-3H3
InChIKeyIEFJRGVVCLMXBB-UHFFFAOYSA-N
MW314.41 g/mol
LogP4.09
Rot. Bonds2

About 7-(benzenesulfonyl)-2,2-dimethyl-4-methylidene-3H-chromene

7-(benzenesulfonyl)-2,2-dimethyl-4-methylidene-3H-chromene (PubChem CID 89271149) has the molecular formula C18H18O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-2,2-dimethyl-4-methylidene-3H-chromene.

Molecular Properties

Compound Name7-(benzenesulfonyl)-2,2-dimethyl-4-methylidene-3H-chromene
PubChem CID89271149
Molecular FormulaC18H18O3S
Molecular Weight314.41 g/mol
Exact Mass314.10
IUPAC Name7-(benzenesulfonyl)-2,2-dimethyl-4-methylidene-3H-chromene
SMILESC=C1CC(C)(C)Oc2cc(S(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C18H18O3S/c1-13-12-18(2,3)21-17-11-15(9-10-16(13)17)22(19,20)14-7-5-4-6-8-14/h4-11H,1,12H2,2-3H3
InChIKeyIEFJRGVVCLMXBB-UHFFFAOYSA-N
XLogP4.09
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(benzenesulfonyl)-2,2-dimethyl-4-methylidene-3H-chromene 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 7-(benzenesulfonyl)-2,2-dimethyl-4-methylidene-3H-chromene?
The IUPAC name of 7-(benzenesulfonyl)-2,2-dimethyl-4-methylidene-3H-chromene (CID 89271149) is 7-(benzenesulfonyl)-2,2-dimethyl-4-methylidene-3H-chromene.
What is the SMILES notation for 7-(benzenesulfonyl)-2,2-dimethyl-4-methylidene-3H-chromene?
The canonical SMILES for 7-(benzenesulfonyl)-2,2-dimethyl-4-methylidene-3H-chromene is C=C1CC(C)(C)Oc2cc(S(=O)(=O)c3ccccc3)ccc21.
What is the InChIKey of 7-(benzenesulfonyl)-2,2-dimethyl-4-methylidene-3H-chromene?
The InChIKey is IEFJRGVVCLMXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3S/c1-13-12-18(2,3)21-17-11-15(9-10-16(13)17)22(19,20)14-7-5-4-6-8-14/h4-11H,1,12H2,2-3H3.
What are the key properties of 7-(benzenesulfonyl)-2,2-dimethyl-4-methylidene-3H-chromene?
7-(benzenesulfonyl)-2,2-dimethyl-4-methylidene-3H-chromene has a molecular weight of 314.41 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-2,2-dimethyl-4-methylidene-3H-chromene is sourced from PubChem (CID 89271149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).