5-(4-chlorophenyl)sulfonyl-1,4-difluoro-6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene

C18H17ClF2O2S — CID 24875993

IUPAC5-(4-chlorophenyl)sulfonyl-1,4-difluoro-6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
SMILESCC1CCCc2c(F)ccc(F)c2C1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClF2O2S/c1-11-3-2-4-14-15(20)9-10-16(21)17(14)18(11)24(22,23)13-7-5-12(19)6-8-13/h5-11,18H,2-4H2,1H3
InChIKeyDBAAPMNWDRBBOP-UHFFFAOYSA-N
MW370.85 g/mol
LogP5.11
Rot. Bonds2

About 5-(4-chlorophenyl)sulfonyl-1,4-difluoro-6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene

5-(4-chlorophenyl)sulfonyl-1,4-difluoro-6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene (PubChem CID 24875993) has the molecular formula C18H17ClF2O2S and a molecular weight of 370.85 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-1,4-difluoro-6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-1,4-difluoro-6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
PubChem CID24875993
Molecular FormulaC18H17ClF2O2S
Molecular Weight370.85 g/mol
Exact Mass370.06
IUPAC Name5-(4-chlorophenyl)sulfonyl-1,4-difluoro-6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
SMILESCC1CCCc2c(F)ccc(F)c2C1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClF2O2S/c1-11-3-2-4-14-15(20)9-10-16(21)17(14)18(11)24(22,23)13-7-5-12(19)6-8-13/h5-11,18H,2-4H2,1H3
InChIKeyDBAAPMNWDRBBOP-UHFFFAOYSA-N
XLogP5.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.85
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(4-chlorophenyl)sulfonyl-1,4-difluoro-6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene 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-(4-chlorophenyl)sulfonyl-1,4-difluoro-6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-1,4-difluoro-6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene (CID 24875993) is 5-(4-chlorophenyl)sulfonyl-1,4-difluoro-6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-1,4-difluoro-6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-1,4-difluoro-6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene is CC1CCCc2c(F)ccc(F)c2C1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-1,4-difluoro-6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The InChIKey is DBAAPMNWDRBBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2O2S/c1-11-3-2-4-14-15(20)9-10-16(21)17(14)18(11)24(22,23)13-7-5-12(19)6-8-13/h5-11,18H,2-4H2,1H3.
What are the key properties of 5-(4-chlorophenyl)sulfonyl-1,4-difluoro-6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
5-(4-chlorophenyl)sulfonyl-1,4-difluoro-6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene has a molecular weight of 370.85 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonyl-1,4-difluoro-6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene is sourced from PubChem (CID 24875993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).