1-(3-chlorophenyl)-2-diazo-2-(4-methylphenyl)sulfonylethanone

C15H11ClN2O3S — CID 54288059

IUPAC1-(3-chlorophenyl)-2-diazo-2-(4-methylphenyl)sulfonylethanone
SMILESCc1ccc(S(=O)(=O)C(=[N+]=[N-])C(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H11ClN2O3S/c1-10-5-7-13(8-6-10)22(20,21)15(18-17)14(19)11-3-2-4-12(16)9-11/h2-9H,1H3
InChIKeyRVOHRCYQZDNLFX-UHFFFAOYSA-N
MW334.78 g/mol
LogP2.93
Rot. Bonds3

About 1-(3-chlorophenyl)-2-diazo-2-(4-methylphenyl)sulfonylethanone

1-(3-chlorophenyl)-2-diazo-2-(4-methylphenyl)sulfonylethanone (PubChem CID 54288059) has the molecular formula C15H11ClN2O3S and a molecular weight of 334.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-diazo-2-(4-methylphenyl)sulfonylethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-diazo-2-(4-methylphenyl)sulfonylethanone
PubChem CID54288059
Molecular FormulaC15H11ClN2O3S
Molecular Weight334.78 g/mol
Exact Mass334.02
IUPAC Name1-(3-chlorophenyl)-2-diazo-2-(4-methylphenyl)sulfonylethanone
SMILESCc1ccc(S(=O)(=O)C(=[N+]=[N-])C(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H11ClN2O3S/c1-10-5-7-13(8-6-10)22(20,21)15(18-17)14(19)11-3-2-4-12(16)9-11/h2-9H,1H3
InChIKeyRVOHRCYQZDNLFX-UHFFFAOYSA-N
XLogP2.93
TPSA87.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-diazoethanone
CID 54486277
1-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)ethane-1,2-dione
CID 18463772
(NE)-N-[(3-chlorophenyl)-phenylmethylidene]-4-methylbenzenesulfonamide
CID 134997731
[(E)-1-(3-chlorophenyl)-2-cyanoethenyl] 4-methylbenzenesulfonate
CID 18511187
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
3-chlorobenzoyl chloride;4-methylsulfonylbenzoyl chloride
CID 160723063
2-(benzenesulfonylmethyl)-1-(3-chlorophenyl)prop-2-en-1-one
CID 162497688
(4-methylphenyl)sulfonylformyl chloride
CID 12530344
[1-(3-chlorophenyl)-1-oxopropan-2-yl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 16572948
2-chloro-1-(3-chlorophenyl)prop-2-en-1-one
CID 23626689
sodium;4-methylbenzenesulfonic acid;azide
CID 172780607
2-diazo-2-(2-methyl-5-propan-2-ylphenyl)sulfonyl-1-phenylethanone
CID 58700210

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-diazo-2-(4-methylphenyl)sulfonylethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-diazo-2-(4-methylphenyl)sulfonylethanone (CID 54288059) is 1-(3-chlorophenyl)-2-diazo-2-(4-methylphenyl)sulfonylethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-diazo-2-(4-methylphenyl)sulfonylethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-diazo-2-(4-methylphenyl)sulfonylethanone is Cc1ccc(S(=O)(=O)C(=[N+]=[N-])C(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-2-diazo-2-(4-methylphenyl)sulfonylethanone?
The InChIKey is RVOHRCYQZDNLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3S/c1-10-5-7-13(8-6-10)22(20,21)15(18-17)14(19)11-3-2-4-12(16)9-11/h2-9H,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-diazo-2-(4-methylphenyl)sulfonylethanone?
1-(3-chlorophenyl)-2-diazo-2-(4-methylphenyl)sulfonylethanone has a molecular weight of 334.78 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-diazo-2-(4-methylphenyl)sulfonylethanone is sourced from PubChem (CID 54288059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).