2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine

C13H18ClNO3S — CID 104754168

IUPAC2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(CS(=O)(=O)c1cccc(Cl)c1)C1CCOC1
InChIInChI=1S/C13H18ClNO3S/c1-15-13(10-5-6-18-8-10)9-19(16,17)12-4-2-3-11(14)7-12/h2-4,7,10,13,15H,5-6,8-9H2,1H3
InChIKeyRBLOTYAWAIWANO-UHFFFAOYSA-N
MW303.81 g/mol
LogP1.74
Rot. Bonds5

About 2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine

2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine (PubChem CID 104754168) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine
PubChem CID104754168
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(CS(=O)(=O)c1cccc(Cl)c1)C1CCOC1
InChIInChI=1S/C13H18ClNO3S/c1-15-13(10-5-6-18-8-10)9-19(16,17)12-4-2-3-11(14)7-12/h2-4,7,10,13,15H,5-6,8-9H2,1H3
InChIKeyRBLOTYAWAIWANO-UHFFFAOYSA-N
XLogP1.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methylphenyl)sulfonyl-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104754220
2-[(4-chlorophenyl)methylsulfonyl]-N-methyl-1-(oxolan-3-yl)ethanamine
CID 114792062
N-ethyl-2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine
CID 104753895
2-(2,6-dichlorophenyl)sulfonyl-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104754077
2-(3-chlorophenyl)sulfonyl-1-cyclopropylethanol
CID 106585025
2-(3-chlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 62503594
2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine
CID 104753897
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 65330019
1-cyclopropyl-2-(2,6-dichlorophenyl)sulfonyl-N-methylethanamine
CID 64675532
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 82806276
2-(3-chlorophenyl)sulfinyl-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104754280
1-cyclopentyl-2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine
CID 104753847

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine (CID 104754168) is 2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine is CNC(CS(=O)(=O)c1cccc(Cl)c1)C1CCOC1.
What is the InChIKey of 2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is RBLOTYAWAIWANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-15-13(10-5-6-18-8-10)9-19(16,17)12-4-2-3-11(14)7-12/h2-4,7,10,13,15H,5-6,8-9H2,1H3.
What are the key properties of 2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine?
2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 303.81 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104754168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).