[1-(2,6-dichlorophenyl)sulfonylazepan-2-yl]methanol

C13H17Cl2NO3S — CID 116636713

IUPAC[1-(2,6-dichlorophenyl)sulfonylazepan-2-yl]methanol
SMILESO=S(=O)(c1c(Cl)cccc1Cl)N1CCCCCC1CO
InChIInChI=1S/C13H17Cl2NO3S/c14-11-6-4-7-12(15)13(11)20(18,19)16-8-3-1-2-5-10(16)9-17/h4,6-7,10,17H,1-3,5,8-9H2
InChIKeyHQEPGWJXNMKNQG-UHFFFAOYSA-N
MW338.26 g/mol
LogP2.92
Rot. Bonds3

About [1-(2,6-dichlorophenyl)sulfonylazepan-2-yl]methanol

[1-(2,6-dichlorophenyl)sulfonylazepan-2-yl]methanol (PubChem CID 116636713) has the molecular formula C13H17Cl2NO3S and a molecular weight of 338.26 g/mol. Its IUPAC name is [1-(2,6-dichlorophenyl)sulfonylazepan-2-yl]methanol.

Molecular Properties

Compound Name[1-(2,6-dichlorophenyl)sulfonylazepan-2-yl]methanol
PubChem CID116636713
Molecular FormulaC13H17Cl2NO3S
Molecular Weight338.26 g/mol
Exact Mass337.03
IUPAC Name[1-(2,6-dichlorophenyl)sulfonylazepan-2-yl]methanol
SMILESO=S(=O)(c1c(Cl)cccc1Cl)N1CCCCCC1CO
InChIInChI=1S/C13H17Cl2NO3S/c14-11-6-4-7-12(15)13(11)20(18,19)16-8-3-1-2-5-10(16)9-17/h4,6-7,10,17H,1-3,5,8-9H2
InChIKeyHQEPGWJXNMKNQG-UHFFFAOYSA-N
XLogP2.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61408875
3-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol
CID 59367770
[(2R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 66260781
2-[[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-2-yl]methoxy]acetic acid
CID 59746470
3-amino-N-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride
CID 120584768
[1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol
CID 43574487
(4aR,8aS)-1-(2,6-dichlorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 11926516
1-[4-chloro-2-hydroxy-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-3-(2-chlorophenyl)urea
CID 57264361
[1-(4-bromophenyl)sulfonylazepan-2-yl]methanol
CID 116636618
[1-[3-(aminomethyl)phenyl]sulfonylazepan-2-yl]methanol
CID 116634411
[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol
CID 43574420
[1-(3,5-difluorophenyl)sulfonylpiperidin-2-yl]methanol
CID 43574533

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dichlorophenyl)sulfonylazepan-2-yl]methanol?
The IUPAC name of [1-(2,6-dichlorophenyl)sulfonylazepan-2-yl]methanol (CID 116636713) is [1-(2,6-dichlorophenyl)sulfonylazepan-2-yl]methanol.
What is the SMILES notation for [1-(2,6-dichlorophenyl)sulfonylazepan-2-yl]methanol?
The canonical SMILES for [1-(2,6-dichlorophenyl)sulfonylazepan-2-yl]methanol is O=S(=O)(c1c(Cl)cccc1Cl)N1CCCCCC1CO.
What is the InChIKey of [1-(2,6-dichlorophenyl)sulfonylazepan-2-yl]methanol?
The InChIKey is HQEPGWJXNMKNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO3S/c14-11-6-4-7-12(15)13(11)20(18,19)16-8-3-1-2-5-10(16)9-17/h4,6-7,10,17H,1-3,5,8-9H2.
What are the key properties of [1-(2,6-dichlorophenyl)sulfonylazepan-2-yl]methanol?
[1-(2,6-dichlorophenyl)sulfonylazepan-2-yl]methanol has a molecular weight of 338.26 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dichlorophenyl)sulfonylazepan-2-yl]methanol is sourced from PubChem (CID 116636713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).