3-(2,5-dichlorophenyl)sulfonyl-N-methylheptan-4-amine

C14H21Cl2NO2S — CID 64641228

IUPAC3-(2,5-dichlorophenyl)sulfonyl-N-methylheptan-4-amine
SMILESCCCC(NC)C(CC)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H21Cl2NO2S/c1-4-6-12(17-3)13(5-2)20(18,19)14-9-10(15)7-8-11(14)16/h7-9,12-13,17H,4-6H2,1-3H3
InChIKeyJTSSWXYKPVIGHA-UHFFFAOYSA-N
MW338.30 g/mol
LogP3.93
Rot. Bonds7

About 3-(2,5-dichlorophenyl)sulfonyl-N-methylheptan-4-amine

3-(2,5-dichlorophenyl)sulfonyl-N-methylheptan-4-amine (PubChem CID 64641228) has the molecular formula C14H21Cl2NO2S and a molecular weight of 338.30 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)sulfonyl-N-methylheptan-4-amine.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)sulfonyl-N-methylheptan-4-amine
PubChem CID64641228
Molecular FormulaC14H21Cl2NO2S
Molecular Weight338.30 g/mol
Exact Mass337.07
IUPAC Name3-(2,5-dichlorophenyl)sulfonyl-N-methylheptan-4-amine
SMILESCCCC(NC)C(CC)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H21Cl2NO2S/c1-4-6-12(17-3)13(5-2)20(18,19)14-9-10(15)7-8-11(14)16/h7-9,12-13,17H,4-6H2,1-3H3
InChIKeyJTSSWXYKPVIGHA-UHFFFAOYSA-N
XLogP3.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.30
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)sulfonyl-N-methylheptan-4-amine
CID 64674433
2,5-dichloro-N-pentan-2-ylbenzenesulfonamide
CID 2886118
2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 788817
1-(2,5-dichlorophenyl)sulfonylpentan-2-amine
CID 64639823
3-(2,5-dichlorophenyl)sulfanyl-N-ethylheptan-4-amine
CID 64619681
3-(2-chlorophenyl)sulfonylheptan-4-amine
CID 64638212
1-(2,5-dichlorophenyl)-N-methylbutan-1-amine
CID 43486635
N-[4-(butan-2-ylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide
CID 2947983
1-(2,5-dichlorophenyl)-3-ethyl-N-methylheptan-2-amine
CID 115863064
2-[2-(bromomethyl)butylsulfonyl]-1,4-dichlorobenzene
CID 65000665
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955
methyl 2-[(2,5-dichlorophenyl)sulfonylamino]butanoate
CID 113253329

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)sulfonyl-N-methylheptan-4-amine?
The IUPAC name of 3-(2,5-dichlorophenyl)sulfonyl-N-methylheptan-4-amine (CID 64641228) is 3-(2,5-dichlorophenyl)sulfonyl-N-methylheptan-4-amine.
What is the SMILES notation for 3-(2,5-dichlorophenyl)sulfonyl-N-methylheptan-4-amine?
The canonical SMILES for 3-(2,5-dichlorophenyl)sulfonyl-N-methylheptan-4-amine is CCCC(NC)C(CC)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 3-(2,5-dichlorophenyl)sulfonyl-N-methylheptan-4-amine?
The InChIKey is JTSSWXYKPVIGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO2S/c1-4-6-12(17-3)13(5-2)20(18,19)14-9-10(15)7-8-11(14)16/h7-9,12-13,17H,4-6H2,1-3H3.
What are the key properties of 3-(2,5-dichlorophenyl)sulfonyl-N-methylheptan-4-amine?
3-(2,5-dichlorophenyl)sulfonyl-N-methylheptan-4-amine has a molecular weight of 338.30 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)sulfonyl-N-methylheptan-4-amine is sourced from PubChem (CID 64641228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).