1-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-1,2,3,4-tetrahydronaphthalene

C18H17ClF2O2S — CID 24876335

IUPAC1-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-1,2,3,4-tetrahydronaphthalene
SMILESCCC1CCc2c(F)ccc(F)c2C1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClF2O2S/c1-2-11-3-8-14-15(20)9-10-16(21)17(14)18(11)24(22,23)13-6-4-12(19)5-7-13/h4-7,9-11,18H,2-3,8H2,1H3
InChIKeyNVMIQBVVAONDJP-UHFFFAOYSA-N
MW370.85 g/mol
LogP5.11
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-1,2,3,4-tetrahydronaphthalene

1-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-1,2,3,4-tetrahydronaphthalene (PubChem CID 24876335) has the molecular formula C18H17ClF2O2S and a molecular weight of 370.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-1,2,3,4-tetrahydronaphthalene
PubChem CID24876335
Molecular FormulaC18H17ClF2O2S
Molecular Weight370.85 g/mol
Exact Mass370.06
IUPAC Name1-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-1,2,3,4-tetrahydronaphthalene
SMILESCCC1CCc2c(F)ccc(F)c2C1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClF2O2S/c1-2-11-3-8-14-15(20)9-10-16(21)17(14)18(11)24(22,23)13-6-4-12(19)5-7-13/h4-7,9-11,18H,2-3,8H2,1H3
InChIKeyNVMIQBVVAONDJP-UHFFFAOYSA-N
XLogP5.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-1,2,3,4-tetrahydronaphthalene (CID 24876335) is 1-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-1,2,3,4-tetrahydronaphthalene is CCC1CCc2c(F)ccc(F)c2C1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-1,2,3,4-tetrahydronaphthalene?
The InChIKey is NVMIQBVVAONDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2O2S/c1-2-11-3-8-14-15(20)9-10-16(21)17(14)18(11)24(22,23)13-6-4-12(19)5-7-13/h4-7,9-11,18H,2-3,8H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-1,2,3,4-tetrahydronaphthalene?
1-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-1,2,3,4-tetrahydronaphthalene has a molecular weight of 370.85 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 24876335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).