1-(4-methylphenyl)sulfonyl-azacycloundecane

C17H27NO2S — CID 12715310

IUPAC1-(4-methylphenyl)sulfonyl-azacycloundecane
SMILESCc1ccc(S(=O)(=O)N2CCCCCCCCCC2)cc1
InChIInChI=1S/C17H27NO2S/c1-16-10-12-17(13-11-16)21(19,20)18-14-8-6-4-2-3-5-7-9-15-18/h10-13H,2-9,14-15H2,1H3
InChIKeyCBAYAQCBZRSNEB-UHFFFAOYSA-N
MW309.47 g/mol
LogP4.12
Rot. Bonds2

About 1-(4-methylphenyl)sulfonyl-azacycloundecane

1-(4-methylphenyl)sulfonyl-azacycloundecane (PubChem CID 12715310) has the molecular formula C17H27NO2S and a molecular weight of 309.47 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-azacycloundecane.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-azacycloundecane
PubChem CID12715310
Molecular FormulaC17H27NO2S
Molecular Weight309.47 g/mol
Exact Mass309.18
IUPAC Name1-(4-methylphenyl)sulfonyl-azacycloundecane
SMILESCc1ccc(S(=O)(=O)N2CCCCCCCCCC2)cc1
InChIInChI=1S/C17H27NO2S/c1-16-10-12-17(13-11-16)21(19,20)18-14-8-6-4-2-3-5-7-9-15-18/h10-13H,2-9,14-15H2,1H3
InChIKeyCBAYAQCBZRSNEB-UHFFFAOYSA-N
XLogP4.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.47
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
(11E)-1-(4-methylphenyl)sulfonyl-1-azacyclohenicos-11-ene
CID 11396698
(8Z)-1,6-bis-(4-methylphenyl)sulfonyl-2,3,4,5,7,10-hexahydro-1,6-diazecine
CID 102269003
1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 2354155
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylaniline
CID 110826196
4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-oxadiazecane
CID 13148160
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 849899
4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 121187247
1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 719622
4-(4-methylphenyl)sulfonylthiomorpholine
CID 4068383
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-azacycloundecane?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-azacycloundecane (CID 12715310) is 1-(4-methylphenyl)sulfonyl-azacycloundecane.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-azacycloundecane?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-azacycloundecane is Cc1ccc(S(=O)(=O)N2CCCCCCCCCC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-azacycloundecane?
The InChIKey is CBAYAQCBZRSNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-16-10-12-17(13-11-16)21(19,20)18-14-8-6-4-2-3-5-7-9-15-18/h10-13H,2-9,14-15H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-azacycloundecane?
1-(4-methylphenyl)sulfonyl-azacycloundecane has a molecular weight of 309.47 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-azacycloundecane is sourced from PubChem (CID 12715310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).