(1Z)-1-(4-methylphenyl)sulfonylcyclododecene

C19H28O2S — CID 134942172

IUPAC(1Z)-1-(4-methylphenyl)sulfonylcyclododecene
SMILESCc1ccc(S(=O)(=O)/C2=C\CCCCCCCCCC2)cc1
InChIInChI=1S/C19H28O2S/c1-17-13-15-19(16-14-17)22(20,21)18-11-9-7-5-3-2-4-6-8-10-12-18/h11,13-16H,2-10,12H2,1H3/b18-11-
InChIKeyNSRISHARFNEJPJ-WQRHYEAKSA-N
MW320.50 g/mol
LogP5.57
Rot. Bonds2

About (1Z)-1-(4-methylphenyl)sulfonylcyclododecene

(1Z)-1-(4-methylphenyl)sulfonylcyclododecene (PubChem CID 134942172) has the molecular formula C19H28O2S and a molecular weight of 320.50 g/mol. Its IUPAC name is (1Z)-1-(4-methylphenyl)sulfonylcyclododecene.

Molecular Properties

Compound Name(1Z)-1-(4-methylphenyl)sulfonylcyclododecene
PubChem CID134942172
Molecular FormulaC19H28O2S
Molecular Weight320.50 g/mol
Exact Mass320.18
IUPAC Name(1Z)-1-(4-methylphenyl)sulfonylcyclododecene
SMILESCc1ccc(S(=O)(=O)/C2=C\CCCCCCCCCC2)cc1
InChIInChI=1S/C19H28O2S/c1-17-13-15-19(16-14-17)22(20,21)18-11-9-7-5-3-2-4-6-8-10-12-18/h11,13-16H,2-10,12H2,1H3/b18-11-
InChIKeyNSRISHARFNEJPJ-WQRHYEAKSA-N
XLogP5.57
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.50
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopenten-1-ylsulfonylbenzene
CID 580522
3-(4-methylphenyl)sulfonylcyclohex-2-en-1-one
CID 135393625
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
(11E)-1-(4-methylphenyl)sulfonyl-1-azacyclohenicos-11-ene
CID 11396698
(4Z)-2-(4-methylphenyl)sulfonyl-3,6,7,8,9,10-hexahydro-1H-cyclonona[c]pyrrole
CID 102377027
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
6-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene
CID 57430782
1-cyclohexa-1,4-dien-1-ylsulfonyl-4-methylbenzene
CID 16754963
N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 57149515
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
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 (1Z)-1-(4-methylphenyl)sulfonylcyclododecene?
The IUPAC name of (1Z)-1-(4-methylphenyl)sulfonylcyclododecene (CID 134942172) is (1Z)-1-(4-methylphenyl)sulfonylcyclododecene.
What is the SMILES notation for (1Z)-1-(4-methylphenyl)sulfonylcyclododecene?
The canonical SMILES for (1Z)-1-(4-methylphenyl)sulfonylcyclododecene is Cc1ccc(S(=O)(=O)/C2=C\CCCCCCCCCC2)cc1.
What is the InChIKey of (1Z)-1-(4-methylphenyl)sulfonylcyclododecene?
The InChIKey is NSRISHARFNEJPJ-WQRHYEAKSA-N. The full InChI is InChI=1S/C19H28O2S/c1-17-13-15-19(16-14-17)22(20,21)18-11-9-7-5-3-2-4-6-8-10-12-18/h11,13-16H,2-10,12H2,1H3/b18-11-.
What are the key properties of (1Z)-1-(4-methylphenyl)sulfonylcyclododecene?
(1Z)-1-(4-methylphenyl)sulfonylcyclododecene has a molecular weight of 320.50 g/mol, XLogP of 5.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(4-methylphenyl)sulfonylcyclododecene is sourced from PubChem (CID 134942172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).