3-(2-chlorophenyl)sulfonylheptan-4-amine

C13H20ClNO2S — CID 64638212

IUPAC3-(2-chlorophenyl)sulfonylheptan-4-amine
SMILESCCCC(N)C(CC)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C13H20ClNO2S/c1-3-7-11(15)12(4-2)18(16,17)13-9-6-5-8-10(13)14/h5-6,8-9,11-12H,3-4,7,15H2,1-2H3
InChIKeyDEJJYBVRWMLQKY-UHFFFAOYSA-N
MW289.83 g/mol
LogP3.02
Rot. Bonds6

About 3-(2-chlorophenyl)sulfonylheptan-4-amine

3-(2-chlorophenyl)sulfonylheptan-4-amine (PubChem CID 64638212) has the molecular formula C13H20ClNO2S and a molecular weight of 289.83 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfonylheptan-4-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfonylheptan-4-amine
PubChem CID64638212
Molecular FormulaC13H20ClNO2S
Molecular Weight289.83 g/mol
Exact Mass289.09
IUPAC Name3-(2-chlorophenyl)sulfonylheptan-4-amine
SMILESCCCC(N)C(CC)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C13H20ClNO2S/c1-3-7-11(15)12(4-2)18(16,17)13-9-6-5-8-10(13)14/h5-6,8-9,11-12H,3-4,7,15H2,1-2H3
InChIKeyDEJJYBVRWMLQKY-UHFFFAOYSA-N
XLogP3.02
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.83
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfonylheptan-4-amine?
The IUPAC name of 3-(2-chlorophenyl)sulfonylheptan-4-amine (CID 64638212) is 3-(2-chlorophenyl)sulfonylheptan-4-amine.
What is the SMILES notation for 3-(2-chlorophenyl)sulfonylheptan-4-amine?
The canonical SMILES for 3-(2-chlorophenyl)sulfonylheptan-4-amine is CCCC(N)C(CC)S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)sulfonylheptan-4-amine?
The InChIKey is DEJJYBVRWMLQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2S/c1-3-7-11(15)12(4-2)18(16,17)13-9-6-5-8-10(13)14/h5-6,8-9,11-12H,3-4,7,15H2,1-2H3.
What are the key properties of 3-(2-chlorophenyl)sulfonylheptan-4-amine?
3-(2-chlorophenyl)sulfonylheptan-4-amine has a molecular weight of 289.83 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfonylheptan-4-amine is sourced from PubChem (CID 64638212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).