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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Related Compounds

(2R,3R)-N-(4-chlorophenyl)-2-methyloxolan-3-amine
CID 97358491
2-(3,4-difluorophenyl)-N-(4-methylsulfonyl-2-nitrophenyl)oxolan-3-amine
CID 133435348
1-N-(4-methylsulfonylphenyl)cyclopropane-1,2-diamine
CID 43598792
6-[[2-(4-chlorophenyl)oxolan-3-yl]amino]pyridine-2-carboxylic acid
CID 122054738
(2S,3R)-2,3-bis(4-chlorophenyl)-1,4-dioxane
CID 71365494
N-(4-chlorocyclohexyl)-4-methylsulfonylaniline
CID 65027643
N-[2-(4-chlorophenyl)oxolan-3-yl]-3-cyanopropane-1-sulfonamide
CID 75442646
N-(2-methoxycyclopentyl)-4-methylsulfonylaniline
CID 55033416
N-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 97058494
N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]-2-methylpyridine-3-carboxamide
CID 97333744
2-methyl-N-[(4-methylsulfonylphenyl)methyl]oxolan-3-amine
CID 115336489
2-(4-methylsulfonylanilino)cyclopentane-1-carbonitrile
CID 62742212

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).