(2R)-2-(4-bromophenyl)-1-(4-methylphenyl)sulfonylaziridine

C15H14BrNO2S — CID 7360494

IUPAC(2R)-2-(4-bromophenyl)-1-(4-methylphenyl)sulfonylaziridine
SMILESCc1ccc(S(=O)(=O)N2C[C@H]2c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H14BrNO2S/c1-11-2-8-14(9-3-11)20(18,19)17-10-15(17)12-4-6-13(16)7-5-12/h2-9,15H,10H2,1H3/t15-,17?/m0/s1
InChIKeyOGKVLFFBWMYUDN-MYJWUSKBSA-N
MW352.25 g/mol
LogP3.50
Rot. Bonds3

About (2R)-2-(4-bromophenyl)-1-(4-methylphenyl)sulfonylaziridine

(2R)-2-(4-bromophenyl)-1-(4-methylphenyl)sulfonylaziridine (PubChem CID 7360494) has the molecular formula C15H14BrNO2S and a molecular weight of 352.25 g/mol. Its IUPAC name is (2R)-2-(4-bromophenyl)-1-(4-methylphenyl)sulfonylaziridine.

Molecular Properties

Compound Name(2R)-2-(4-bromophenyl)-1-(4-methylphenyl)sulfonylaziridine
PubChem CID7360494
Molecular FormulaC15H14BrNO2S
Molecular Weight352.25 g/mol
Exact Mass350.99
IUPAC Name(2R)-2-(4-bromophenyl)-1-(4-methylphenyl)sulfonylaziridine
SMILESCc1ccc(S(=O)(=O)N2C[C@H]2c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H14BrNO2S/c1-11-2-8-14(9-3-11)20(18,19)17-10-15(17)12-4-6-13(16)7-5-12/h2-9,15H,10H2,1H3/t15-,17?/m0/s1
InChIKeyOGKVLFFBWMYUDN-MYJWUSKBSA-N
XLogP3.50
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 101342795
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
2,4-bis(4-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 164682679
5-(4-bromophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 78141036
(2S,4aR,7S,8aS)-1-(4-bromophenyl)sulfonyl-6-(4-methylphenyl)sulfonyl-2,7-diphenyl-3,4a,5,7,8,8a-hexahydro-2H-1,6-naphthyridin-4-one
CID 51359275
1-(benzenesulfonyl)-2-phenylaziridine
CID 576325
(1S)-2-(4-bromophenyl)sulfonyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 42554106
(1R)-2-(4-bromophenyl)sulfonyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 42554107
4-(4-bromophenyl)sulfonyl-2-(4-methylphenyl)morpholine
CID 110326570
1-(4-methylphenyl)sulfonyl-2-[3-(trifluoromethyl)phenyl]aziridine
CID 59485705
(2R,3R,5S)-1,4-bis-(4-methylphenyl)sulfonyl-2,3,5-triphenylpiperazine
CID 134953521
(2S)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 71663240

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenyl)-1-(4-methylphenyl)sulfonylaziridine?
The IUPAC name of (2R)-2-(4-bromophenyl)-1-(4-methylphenyl)sulfonylaziridine (CID 7360494) is (2R)-2-(4-bromophenyl)-1-(4-methylphenyl)sulfonylaziridine.
What is the SMILES notation for (2R)-2-(4-bromophenyl)-1-(4-methylphenyl)sulfonylaziridine?
The canonical SMILES for (2R)-2-(4-bromophenyl)-1-(4-methylphenyl)sulfonylaziridine is Cc1ccc(S(=O)(=O)N2C[C@H]2c2ccc(Br)cc2)cc1.
What is the InChIKey of (2R)-2-(4-bromophenyl)-1-(4-methylphenyl)sulfonylaziridine?
The InChIKey is OGKVLFFBWMYUDN-MYJWUSKBSA-N. The full InChI is InChI=1S/C15H14BrNO2S/c1-11-2-8-14(9-3-11)20(18,19)17-10-15(17)12-4-6-13(16)7-5-12/h2-9,15H,10H2,1H3/t15-,17?/m0/s1.
What are the key properties of (2R)-2-(4-bromophenyl)-1-(4-methylphenyl)sulfonylaziridine?
(2R)-2-(4-bromophenyl)-1-(4-methylphenyl)sulfonylaziridine has a molecular weight of 352.25 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenyl)-1-(4-methylphenyl)sulfonylaziridine is sourced from PubChem (CID 7360494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).