1-(3-chlorophenyl)sulfonyl-N-ethylpentan-2-amine

C13H20ClNO2S — CID 64675422

IUPAC1-(3-chlorophenyl)sulfonyl-N-ethylpentan-2-amine
SMILESCCCC(CS(=O)(=O)c1cccc(Cl)c1)NCC
InChIInChI=1S/C13H20ClNO2S/c1-3-6-12(15-4-2)10-18(16,17)13-8-5-7-11(14)9-13/h5,7-9,12,15H,3-4,6,10H2,1-2H3
InChIKeyWBLSEYXKHJUTNJ-UHFFFAOYSA-N
MW289.83 g/mol
LogP2.89
Rot. Bonds7

About 1-(3-chlorophenyl)sulfonyl-N-ethylpentan-2-amine

1-(3-chlorophenyl)sulfonyl-N-ethylpentan-2-amine (PubChem CID 64675422) has the molecular formula C13H20ClNO2S and a molecular weight of 289.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-N-ethylpentan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-N-ethylpentan-2-amine
PubChem CID64675422
Molecular FormulaC13H20ClNO2S
Molecular Weight289.83 g/mol
Exact Mass289.09
IUPAC Name1-(3-chlorophenyl)sulfonyl-N-ethylpentan-2-amine
SMILESCCCC(CS(=O)(=O)c1cccc(Cl)c1)NCC
InChIInChI=1S/C13H20ClNO2S/c1-3-6-12(15-4-2)10-18(16,17)13-8-5-7-11(14)9-13/h5,7-9,12,15H,3-4,6,10H2,1-2H3
InChIKeyWBLSEYXKHJUTNJ-UHFFFAOYSA-N
XLogP2.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.83
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chlorophenyl)sulfonyl-N-ethylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-(4-fluorophenyl)sulfonylpentan-2-amine
CID 64639026
1-(3-methoxyphenyl)sulfonyl-N-propylpentan-2-amine
CID 64645556
1-(3-chlorophenyl)sulfonyl-3-methylpentan-2-ol
CID 106585027
3-(ethylamino)-4-naphthalen-2-ylsulfonylbutan-1-ol
CID 64899704
2-[(3-chlorophenyl)sulfonylamino]pentanoic acid
CID 43631155
3-(3-chlorophenyl)sulfonyl-N-methylheptan-4-amine
CID 64674433
N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpentan-2-amine
CID 106584775
N-[(3-chlorophenyl)methyl]heptan-4-amine
CID 63476473
2-(3-chlorophenyl)sulfonyl-1-phenylethanamine
CID 64675228
1-chloro-3-decan-3-ylsulfonylbenzene
CID 154972546
1-(3-chlorophenyl)-N-ethyldecan-2-amine
CID 63412164
bis(3-chlorobenzenesulfonate);mercury(2+)
CID 22604170

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-N-ethylpentan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-N-ethylpentan-2-amine (CID 64675422) is 1-(3-chlorophenyl)sulfonyl-N-ethylpentan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-N-ethylpentan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-N-ethylpentan-2-amine is CCCC(CS(=O)(=O)c1cccc(Cl)c1)NCC.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-N-ethylpentan-2-amine?
The InChIKey is WBLSEYXKHJUTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2S/c1-3-6-12(15-4-2)10-18(16,17)13-8-5-7-11(14)9-13/h5,7-9,12,15H,3-4,6,10H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)sulfonyl-N-ethylpentan-2-amine?
1-(3-chlorophenyl)sulfonyl-N-ethylpentan-2-amine has a molecular weight of 289.83 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonyl-N-ethylpentan-2-amine is sourced from PubChem (CID 64675422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).