(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine

C16H17NO2S — CID 16731480

IUPAC(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
SMILESCc1ccc(S(=O)(=O)N2CC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C16H17NO2S/c1-13-7-9-15(10-8-13)20(18,19)17-12-11-16(17)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3/t16-/m0/s1
InChIKeyHACCQCDRPIBLHF-INIZCTEOSA-N
MW287.38 g/mol
LogP3.13
Rot. Bonds3

About (2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine

(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine (PubChem CID 16731480) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is (2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine.

Molecular Properties

Compound Name(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
PubChem CID16731480
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
SMILESCc1ccc(S(=O)(=O)N2CC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C16H17NO2S/c1-13-7-9-15(10-8-13)20(18,19)17-12-11-16(17)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3/t16-/m0/s1
InChIKeyHACCQCDRPIBLHF-INIZCTEOSA-N
XLogP3.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine
CID 75025080
1,3-bis-(4-methylphenyl)sulfonyl-4-phenyl-1,3-diazinane
CID 164682661
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
(3R)-4-(4-methylphenyl)sulfonyl-3-phenylmorpholine
CID 102484859
(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidin-2-ol
CID 11067091
(2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidine
CID 162399175
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
(2R,3R,5S)-1,4-bis-(4-methylphenyl)sulfonyl-2,3,5-triphenylpiperazine
CID 134953521
2,4-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 164682677
2,4-bis(4-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 164682679
3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 6925728
(2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 146469231

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine?
The IUPAC name of (2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine (CID 16731480) is (2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine.
What is the SMILES notation for (2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine?
The canonical SMILES for (2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine is Cc1ccc(S(=O)(=O)N2CC[C@H]2c2ccccc2)cc1.
What is the InChIKey of (2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine?
The InChIKey is HACCQCDRPIBLHF-INIZCTEOSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-13-7-9-15(10-8-13)20(18,19)17-12-11-16(17)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine?
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine has a molecular weight of 287.38 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine is sourced from PubChem (CID 16731480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).