phenyl(piperidin-1-yl)methanone;sulfuryl dichloride

C12H15Cl2NO3S — CID 174601511

IUPACphenyl(piperidin-1-yl)methanone;sulfuryl dichloride
SMILESO=C(c1ccccc1)N1CCCCC1.O=S(=O)(Cl)Cl
InChIInChI=1S/C12H15NO.Cl2O2S/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13;1-5(2,3)4/h1,3-4,7-8H,2,5-6,9-10H2;
InChIKeyMSUGEFAFKNPFEN-UHFFFAOYSA-N
MW324.23 g/mol
LogP3.02
Rot. Bonds1

About phenyl(piperidin-1-yl)methanone;sulfuryl dichloride

phenyl(piperidin-1-yl)methanone;sulfuryl dichloride (PubChem CID 174601511) has the molecular formula C12H15Cl2NO3S and a molecular weight of 324.23 g/mol. Its IUPAC name is phenyl(piperidin-1-yl)methanone;sulfuryl dichloride.

Molecular Properties

Compound Namephenyl(piperidin-1-yl)methanone;sulfuryl dichloride
PubChem CID174601511
Molecular FormulaC12H15Cl2NO3S
Molecular Weight324.23 g/mol
Exact Mass323.01
IUPAC Namephenyl(piperidin-1-yl)methanone;sulfuryl dichloride
SMILESO=C(c1ccccc1)N1CCCCC1.O=S(=O)(Cl)Cl
InChIInChI=1S/C12H15NO.Cl2O2S/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13;1-5(2,3)4/h1,3-4,7-8H,2,5-6,9-10H2;
InChIKeyMSUGEFAFKNPFEN-UHFFFAOYSA-N
XLogP3.02
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
1-benzoylpiperidine-3-sulfonyl chloride
CID 75480400
4-(pyrrolidine-1-carbonyl)benzoic acid
CID 10932939
1-(4-benzoyl-1,4-diazepan-1-yl)ethanone
CID 44603157
(4-phenoxyphenyl)-piperidin-1-ylmethanone
CID 112759363
methyl formate;phenyl(pyrrolidin-1-yl)methanone
CID 145150279
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
1-benzoylpiperidine-3-carbonyl chloride
CID 15718173
(5-hydroxyazocan-1-yl)-phenylmethanone
CID 165346872
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 78771391
3-(azepane-1-carbonyl)-N-phenylbenzenesulfonamide
CID 56919558
N-benzyl-4-(piperidine-1-carbonyl)benzenesulfonamide
CID 109059407

Frequently Asked Questions

What is the IUPAC name of phenyl(piperidin-1-yl)methanone;sulfuryl dichloride?
The IUPAC name of phenyl(piperidin-1-yl)methanone;sulfuryl dichloride (CID 174601511) is phenyl(piperidin-1-yl)methanone;sulfuryl dichloride.
What is the SMILES notation for phenyl(piperidin-1-yl)methanone;sulfuryl dichloride?
The canonical SMILES for phenyl(piperidin-1-yl)methanone;sulfuryl dichloride is O=C(c1ccccc1)N1CCCCC1.O=S(=O)(Cl)Cl.
What is the InChIKey of phenyl(piperidin-1-yl)methanone;sulfuryl dichloride?
The InChIKey is MSUGEFAFKNPFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.Cl2O2S/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13;1-5(2,3)4/h1,3-4,7-8H,2,5-6,9-10H2;.
What are the key properties of phenyl(piperidin-1-yl)methanone;sulfuryl dichloride?
phenyl(piperidin-1-yl)methanone;sulfuryl dichloride has a molecular weight of 324.23 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(piperidin-1-yl)methanone;sulfuryl dichloride is sourced from PubChem (CID 174601511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).