5,8-difluoro-4-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-chromene

C17H16F2O3S — CID 143514151

IUPAC5,8-difluoro-4-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-chromene
SMILESCc1ccc(S(=O)(=O)CC2CCOc3c(F)ccc(F)c32)cc1
InChIInChI=1S/C17H16F2O3S/c1-11-2-4-13(5-3-11)23(20,21)10-12-8-9-22-17-15(19)7-6-14(18)16(12)17/h2-7,12H,8-10H2,1H3
InChIKeyGQRLJKIHLFZQRB-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.61
Rot. Bonds3

About 5,8-difluoro-4-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-chromene

5,8-difluoro-4-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-chromene (PubChem CID 143514151) has the molecular formula C17H16F2O3S and a molecular weight of 338.38 g/mol. Its IUPAC name is 5,8-difluoro-4-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name5,8-difluoro-4-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-chromene
PubChem CID143514151
Molecular FormulaC17H16F2O3S
Molecular Weight338.38 g/mol
Exact Mass338.08
IUPAC Name5,8-difluoro-4-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-chromene
SMILESCc1ccc(S(=O)(=O)CC2CCOc3c(F)ccc(F)c32)cc1
InChIInChI=1S/C17H16F2O3S/c1-11-2-4-13(5-3-11)23(20,21)10-12-8-9-22-17-15(19)7-6-14(18)16(12)17/h2-7,12H,8-10H2,1H3
InChIKeyGQRLJKIHLFZQRB-UHFFFAOYSA-N
XLogP3.61
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,8-difluoro-4-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-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 5,8-difluoro-4-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 5,8-difluoro-4-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-chromene (CID 143514151) is 5,8-difluoro-4-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 5,8-difluoro-4-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 5,8-difluoro-4-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-chromene is Cc1ccc(S(=O)(=O)CC2CCOc3c(F)ccc(F)c32)cc1.
What is the InChIKey of 5,8-difluoro-4-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-chromene?
The InChIKey is GQRLJKIHLFZQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O3S/c1-11-2-4-13(5-3-11)23(20,21)10-12-8-9-22-17-15(19)7-6-14(18)16(12)17/h2-7,12H,8-10H2,1H3.
What are the key properties of 5,8-difluoro-4-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-chromene?
5,8-difluoro-4-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-chromene has a molecular weight of 338.38 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-difluoro-4-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 143514151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).