2-(2,5-dichlorophenyl)sulfonylcyclooctan-1-amine

C14H19Cl2NO2S — CID 64638826

IUPAC2-(2,5-dichlorophenyl)sulfonylcyclooctan-1-amine
SMILESNC1CCCCCCC1S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H19Cl2NO2S/c15-10-7-8-11(16)14(9-10)20(18,19)13-6-4-2-1-3-5-12(13)17/h7-9,12-13H,1-6,17H2
InChIKeyJLFBECGFLSGABI-UHFFFAOYSA-N
MW336.28 g/mol
LogP3.82
Rot. Bonds2

About 2-(2,5-dichlorophenyl)sulfonylcyclooctan-1-amine

2-(2,5-dichlorophenyl)sulfonylcyclooctan-1-amine (PubChem CID 64638826) has the molecular formula C14H19Cl2NO2S and a molecular weight of 336.28 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfonylcyclooctan-1-amine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfonylcyclooctan-1-amine
PubChem CID64638826
Molecular FormulaC14H19Cl2NO2S
Molecular Weight336.28 g/mol
Exact Mass335.05
IUPAC Name2-(2,5-dichlorophenyl)sulfonylcyclooctan-1-amine
SMILESNC1CCCCCCC1S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H19Cl2NO2S/c15-10-7-8-11(16)14(9-10)20(18,19)13-6-4-2-1-3-5-12(13)17/h7-9,12-13H,1-6,17H2
InChIKeyJLFBECGFLSGABI-UHFFFAOYSA-N
XLogP3.82
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,5-dichlorophenyl)sulfonyl-2,2-dimethylcyclopentan-1-amine
CID 79863760
2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-amine
CID 64639437
cyclohexyl 2,5-dichlorobenzenesulfonate
CID 87077276
2-(2,5-dichlorophenyl)sulfonylcyclopentan-1-one
CID 64641762
2-(3,4-difluorophenyl)sulfonylcyclopentan-1-amine
CID 64646463
1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694
2-(benzenesulfonyl)cyclohexan-1-amine
CID 62918222
N-[(2-bromocyclohexyl)methyl]-2,5-dichlorobenzenesulfonamide
CID 114297585
2-(4-bromophenyl)sulfonylcycloheptan-1-amine
CID 64646056
2-cyclohexyl-2-(2,5-dichlorophenyl)sulfonylacetonitrile
CID 82933690
5-chloro-2-cycloheptylsulfonylaniline
CID 82935028
N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorobenzenesulfonamide
CID 106367511

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfonylcyclooctan-1-amine?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfonylcyclooctan-1-amine (CID 64638826) is 2-(2,5-dichlorophenyl)sulfonylcyclooctan-1-amine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfonylcyclooctan-1-amine?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfonylcyclooctan-1-amine is NC1CCCCCCC1S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfonylcyclooctan-1-amine?
The InChIKey is JLFBECGFLSGABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2S/c15-10-7-8-11(16)14(9-10)20(18,19)13-6-4-2-1-3-5-12(13)17/h7-9,12-13H,1-6,17H2.
What are the key properties of 2-(2,5-dichlorophenyl)sulfonylcyclooctan-1-amine?
2-(2,5-dichlorophenyl)sulfonylcyclooctan-1-amine has a molecular weight of 336.28 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfonylcyclooctan-1-amine is sourced from PubChem (CID 64638826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).