10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-1,2,3,4a,5,6-hexahydrobenzo[f]chromene

C19H17ClF2O3S — CID 70871898

IUPAC10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-1,2,3,4a,5,6-hexahydrobenzo[f]chromene
SMILESO=S(=O)(c1ccc(Cl)cc1)C12CCCOC1CCc1c(F)ccc(F)c12
InChIInChI=1S/C19H17ClF2O3S/c20-12-2-4-13(5-3-12)26(23,24)19-10-1-11-25-17(19)9-6-14-15(21)7-8-16(22)18(14)19/h2-5,7-8,17H,1,6,9-11H2
InChIKeyHUWQLLJTWHYJPW-UHFFFAOYSA-N
MW398.86 g/mol
LogP4.41
Rot. Bonds2

About 10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-1,2,3,4a,5,6-hexahydrobenzo[f]chromene

10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-1,2,3,4a,5,6-hexahydrobenzo[f]chromene (PubChem CID 70871898) has the molecular formula C19H17ClF2O3S and a molecular weight of 398.86 g/mol. Its IUPAC name is 10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-1,2,3,4a,5,6-hexahydrobenzo[f]chromene.

Molecular Properties

Compound Name10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-1,2,3,4a,5,6-hexahydrobenzo[f]chromene
PubChem CID70871898
Molecular FormulaC19H17ClF2O3S
Molecular Weight398.86 g/mol
Exact Mass398.06
IUPAC Name10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-1,2,3,4a,5,6-hexahydrobenzo[f]chromene
SMILESO=S(=O)(c1ccc(Cl)cc1)C12CCCOC1CCc1c(F)ccc(F)c12
InChIInChI=1S/C19H17ClF2O3S/c20-12-2-4-13(5-3-12)26(23,24)19-10-1-11-25-17(19)9-6-14-15(21)7-8-16(22)18(14)19/h2-5,7-8,17H,1,6,9-11H2
InChIKeyHUWQLLJTWHYJPW-UHFFFAOYSA-N
XLogP4.41
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.86
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-1,2,3,4a,5,6-hexahydrobenzo[f]chromene?
The IUPAC name of 10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-1,2,3,4a,5,6-hexahydrobenzo[f]chromene (CID 70871898) is 10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-1,2,3,4a,5,6-hexahydrobenzo[f]chromene.
What is the SMILES notation for 10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-1,2,3,4a,5,6-hexahydrobenzo[f]chromene?
The canonical SMILES for 10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-1,2,3,4a,5,6-hexahydrobenzo[f]chromene is O=S(=O)(c1ccc(Cl)cc1)C12CCCOC1CCc1c(F)ccc(F)c12.
What is the InChIKey of 10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-1,2,3,4a,5,6-hexahydrobenzo[f]chromene?
The InChIKey is HUWQLLJTWHYJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2O3S/c20-12-2-4-13(5-3-12)26(23,24)19-10-1-11-25-17(19)9-6-14-15(21)7-8-16(22)18(14)19/h2-5,7-8,17H,1,6,9-11H2.
What are the key properties of 10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-1,2,3,4a,5,6-hexahydrobenzo[f]chromene?
10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-1,2,3,4a,5,6-hexahydrobenzo[f]chromene has a molecular weight of 398.86 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-1,2,3,4a,5,6-hexahydrobenzo[f]chromene is sourced from PubChem (CID 70871898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).