(2S)-2-(2-chlorophenyl)-1-(4-nitrophenyl)sulfonylaziridine

C14H11ClN2O4S — CID 71416019

IUPAC(2S)-2-(2-chlorophenyl)-1-(4-nitrophenyl)sulfonylaziridine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]2c2ccccc2Cl)cc1
InChIInChI=1S/C14H11ClN2O4S/c15-13-4-2-1-3-12(13)14-9-16(14)22(20,21)11-7-5-10(6-8-11)17(18)19/h1-8,14H,9H2/t14-,16?/m1/s1
InChIKeyGXFBOLCIFVLRHD-IURRXHLWSA-N
MW338.77 g/mol
LogP2.99
Rot. Bonds4

About (2S)-2-(2-chlorophenyl)-1-(4-nitrophenyl)sulfonylaziridine

(2S)-2-(2-chlorophenyl)-1-(4-nitrophenyl)sulfonylaziridine (PubChem CID 71416019) has the molecular formula C14H11ClN2O4S and a molecular weight of 338.77 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenyl)-1-(4-nitrophenyl)sulfonylaziridine.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenyl)-1-(4-nitrophenyl)sulfonylaziridine
PubChem CID71416019
Molecular FormulaC14H11ClN2O4S
Molecular Weight338.77 g/mol
Exact Mass338.01
IUPAC Name(2S)-2-(2-chlorophenyl)-1-(4-nitrophenyl)sulfonylaziridine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]2c2ccccc2Cl)cc1
InChIInChI=1S/C14H11ClN2O4S/c15-13-4-2-1-3-12(13)14-9-16(14)22(20,21)11-7-5-10(6-8-11)17(18)19/h1-8,14H,9H2/t14-,16?/m1/s1
InChIKeyGXFBOLCIFVLRHD-IURRXHLWSA-N
XLogP2.99
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 71663240
(2R)-1-(4-nitrophenyl)sulfonyl-2-phenylaziridine
CID 11150856
1-(benzenesulfonyl)-2-(2-chlorophenyl)azepane
CID 53096134
(2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856371
2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylazepane
CID 53096111
2-(2-chlorophenyl)-3-(3-nitrophenyl)sulfonyl-1,3-thiazolidine
CID 46498253
1-(4-nitrophenyl)sulfonyl-2-(phenoxymethyl)aziridine
CID 54576608
(2R)-1-(benzenesulfonyl)-4-(2-chloro-4-nitrophenyl)-2-methylpiperazine
CID 7319814
2-(2-chlorophenyl)-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine
CID 86167152
(2S)-2-methyl-1-(4-nitrophenyl)sulfonylpiperidine
CID 779289
2-chloro-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]benzamide
CID 108559903
(2S)-1-(benzenesulfonyl)-2-methyl-4-(4-nitrophenyl)piperazine
CID 7319813

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenyl)-1-(4-nitrophenyl)sulfonylaziridine?
The IUPAC name of (2S)-2-(2-chlorophenyl)-1-(4-nitrophenyl)sulfonylaziridine (CID 71416019) is (2S)-2-(2-chlorophenyl)-1-(4-nitrophenyl)sulfonylaziridine.
What is the SMILES notation for (2S)-2-(2-chlorophenyl)-1-(4-nitrophenyl)sulfonylaziridine?
The canonical SMILES for (2S)-2-(2-chlorophenyl)-1-(4-nitrophenyl)sulfonylaziridine is O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]2c2ccccc2Cl)cc1.
What is the InChIKey of (2S)-2-(2-chlorophenyl)-1-(4-nitrophenyl)sulfonylaziridine?
The InChIKey is GXFBOLCIFVLRHD-IURRXHLWSA-N. The full InChI is InChI=1S/C14H11ClN2O4S/c15-13-4-2-1-3-12(13)14-9-16(14)22(20,21)11-7-5-10(6-8-11)17(18)19/h1-8,14H,9H2/t14-,16?/m1/s1.
What are the key properties of (2S)-2-(2-chlorophenyl)-1-(4-nitrophenyl)sulfonylaziridine?
(2S)-2-(2-chlorophenyl)-1-(4-nitrophenyl)sulfonylaziridine has a molecular weight of 338.77 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenyl)-1-(4-nitrophenyl)sulfonylaziridine is sourced from PubChem (CID 71416019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).