2-(4-chlorophenyl)-N-(4-methylsulfonylphenyl)oxolan-3-amine

C17H18ClNO3S — CID 133452436

IUPAC2-(4-chlorophenyl)-N-(4-methylsulfonylphenyl)oxolan-3-amine
SMILESCS(=O)(=O)c1ccc(NC2CCOC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO3S/c1-23(20,21)15-8-6-14(7-9-15)19-16-10-11-22-17(16)12-2-4-13(18)5-3-12/h2-9,16-17,19H,10-11H2,1H3
InChIKeyYVOBBYQICCLUFF-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.69
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(4-methylsulfonylphenyl)oxolan-3-amine

2-(4-chlorophenyl)-N-(4-methylsulfonylphenyl)oxolan-3-amine (PubChem CID 133452436) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(4-methylsulfonylphenyl)oxolan-3-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(4-methylsulfonylphenyl)oxolan-3-amine
PubChem CID133452436
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC Name2-(4-chlorophenyl)-N-(4-methylsulfonylphenyl)oxolan-3-amine
SMILESCS(=O)(=O)c1ccc(NC2CCOC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO3S/c1-23(20,21)15-8-6-14(7-9-15)19-16-10-11-22-17(16)12-2-4-13(18)5-3-12/h2-9,16-17,19H,10-11H2,1H3
InChIKeyYVOBBYQICCLUFF-UHFFFAOYSA-N
XLogP3.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(4-methylsulfonylphenyl)oxolan-3-amine?
The IUPAC name of 2-(4-chlorophenyl)-N-(4-methylsulfonylphenyl)oxolan-3-amine (CID 133452436) is 2-(4-chlorophenyl)-N-(4-methylsulfonylphenyl)oxolan-3-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(4-methylsulfonylphenyl)oxolan-3-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N-(4-methylsulfonylphenyl)oxolan-3-amine is CS(=O)(=O)c1ccc(NC2CCOC2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(4-methylsulfonylphenyl)oxolan-3-amine?
The InChIKey is YVOBBYQICCLUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c1-23(20,21)15-8-6-14(7-9-15)19-16-10-11-22-17(16)12-2-4-13(18)5-3-12/h2-9,16-17,19H,10-11H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-(4-methylsulfonylphenyl)oxolan-3-amine?
2-(4-chlorophenyl)-N-(4-methylsulfonylphenyl)oxolan-3-amine has a molecular weight of 351.86 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(4-methylsulfonylphenyl)oxolan-3-amine is sourced from PubChem (CID 133452436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).