6-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene

C17H18O2S — CID 57430782

IUPAC6-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene
SMILESCc1ccc(S(=O)(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C17H18O2S/c1-13-6-9-16(10-7-13)20(18,19)17-11-8-14-4-2-3-5-15(14)12-17/h6-12H,2-5H2,1H3
InChIKeyRDKRFVXPZHUPSU-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.71
Rot. Bonds2

About 6-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene

6-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 57430782) has the molecular formula C17H18O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 6-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene
PubChem CID57430782
Molecular FormulaC17H18O2S
Molecular Weight286.40 g/mol
Exact Mass286.10
IUPAC Name6-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene
SMILESCc1ccc(S(=O)(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C17H18O2S/c1-13-6-9-16(10-7-13)20(18,19)17-11-8-14-4-2-3-5-15(14)12-17/h6-12H,2-5H2,1H3
InChIKeyRDKRFVXPZHUPSU-UHFFFAOYSA-N
XLogP3.71
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,6,7,8-tetrahydronaphthalen-2-yl 4-methylbenzenesulfonate
CID 10494583
1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole
CID 67129203
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
5-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzofuran
CID 23543562
5,6,7,8-tetrahydronaphthalene-2-sulfonyl fluoride
CID 82284501
6-propan-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalene
CID 117031949
methanamine;4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-pyrazole
CID 143248303
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
1-methyl-4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]phenyl]benzene;1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]benzene;1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]benzene
CID 161103806

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene (CID 57430782) is 6-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene is Cc1ccc(S(=O)(=O)c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of 6-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is RDKRFVXPZHUPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2S/c1-13-6-9-16(10-7-13)20(18,19)17-11-8-14-4-2-3-5-15(14)12-17/h6-12H,2-5H2,1H3.
What are the key properties of 6-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene?
6-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 286.40 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 57430782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).