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

C11H15Cl2NO2S — CID 64639823

IUPAC1-(2,5-dichlorophenyl)sulfonylpentan-2-amine
SMILESCCCC(N)CS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2NO2S/c1-2-3-9(14)7-17(15,16)11-6-8(12)4-5-10(11)13/h4-6,9H,2-3,7,14H2,1H3
InChIKeyUMJNJWPUVKTQOI-UHFFFAOYSA-N
MW296.22 g/mol
LogP2.89
Rot. Bonds5

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

1-(2,5-dichlorophenyl)sulfonylpentan-2-amine (PubChem CID 64639823) has the molecular formula C11H15Cl2NO2S and a molecular weight of 296.22 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonylpentan-2-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonylpentan-2-amine
PubChem CID64639823
Molecular FormulaC11H15Cl2NO2S
Molecular Weight296.22 g/mol
Exact Mass295.02
IUPAC Name1-(2,5-dichlorophenyl)sulfonylpentan-2-amine
SMILESCCCC(N)CS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2NO2S/c1-2-3-9(14)7-17(15,16)11-6-8(12)4-5-10(11)13/h4-6,9H,2-3,7,14H2,1H3
InChIKeyUMJNJWPUVKTQOI-UHFFFAOYSA-N
XLogP2.89
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.22
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)sulfonylpentan-2-amine
CID 64647514
2-[2-(bromomethyl)butylsulfonyl]-1,4-dichlorobenzene
CID 65000665
2,5-dichloro-N-pentan-2-ylbenzenesulfonamide
CID 2886118
2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 788817
4-(2,5-dichlorophenyl)sulfonyl-2-ethoxybutan-1-amine
CID 64696960
1-(3-chloro-4-fluorophenyl)sulfonylbutan-2-amine
CID 64673553
2-(2,5-dichlorophenyl)sulfonylacetamide
CID 13344609
3-(2,5-dichlorophenyl)sulfonyl-N-methylheptan-4-amine
CID 64641228
4-chloro-3-(2-ethylbutylsulfonyl)aniline
CID 82935838
3-(2,5-dichlorophenyl)sulfonyl-N-propylpropan-1-amine
CID 64641245
4-amino-1-(2,5-dichlorophenyl)heptan-2-one
CID 116607917
N-(2-aminopentyl)-2-chloro-5-fluorobenzenesulfonamide
CID 86780772

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonylpentan-2-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonylpentan-2-amine (CID 64639823) is 1-(2,5-dichlorophenyl)sulfonylpentan-2-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonylpentan-2-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonylpentan-2-amine is CCCC(N)CS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonylpentan-2-amine?
The InChIKey is UMJNJWPUVKTQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2S/c1-2-3-9(14)7-17(15,16)11-6-8(12)4-5-10(11)13/h4-6,9H,2-3,7,14H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)sulfonylpentan-2-amine?
1-(2,5-dichlorophenyl)sulfonylpentan-2-amine has a molecular weight of 296.22 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonylpentan-2-amine is sourced from PubChem (CID 64639823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).