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

C18H17ClF2O2S — CID 67006399

IUPAC(1S,2S)-1-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-1,2,3,4-tetrahydronaphthalene
SMILESCC[C@H]1CCc2c(F)ccc(F)c2[C@H]1S(=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/t11-,18-/m0/s1
InChIKeyNVMIQBVVAONDJP-VOJFVSQTSA-N
MW370.85 g/mol
LogP5.11
Rot. Bonds3

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

(1S,2S)-1-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-1,2,3,4-tetrahydronaphthalene (PubChem CID 67006399) has the molecular formula C18H17ClF2O2S and a molecular weight of 370.85 g/mol. Its IUPAC name is (1S,2S)-1-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1S,2S)-1-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-1,2,3,4-tetrahydronaphthalene
PubChem CID67006399
Molecular FormulaC18H17ClF2O2S
Molecular Weight370.85 g/mol
Exact Mass370.06
IUPAC Name(1S,2S)-1-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-1,2,3,4-tetrahydronaphthalene
SMILESCC[C@H]1CCc2c(F)ccc(F)c2[C@H]1S(=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/t11-,18-/m0/s1
InChIKeyNVMIQBVVAONDJP-VOJFVSQTSA-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 (1S,2S)-1-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1S,2S)-1-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-1,2,3,4-tetrahydronaphthalene (CID 67006399) is (1S,2S)-1-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1S,2S)-1-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1S,2S)-1-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-1,2,3,4-tetrahydronaphthalene is CC[C@H]1CCc2c(F)ccc(F)c2[C@H]1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (1S,2S)-1-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-1,2,3,4-tetrahydronaphthalene?
The InChIKey is NVMIQBVVAONDJP-VOJFVSQTSA-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/t11-,18-/m0/s1.
What are the key properties of (1S,2S)-1-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-1,2,3,4-tetrahydronaphthalene?
(1S,2S)-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 (1S,2S)-1-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 67006399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).