(4-ethylsulfonyl-2-methoxy-5-methylphenyl)methanediazonium

C11H15N2O3S+ — CID 88788816

IUPAC(4-ethylsulfonyl-2-methoxy-5-methylphenyl)methanediazonium
SMILESCCS(=O)(=O)c1cc(OC)c(C[N+]#N)cc1C
InChIInChI=1S/C11H15N2O3S/c1-4-17(14,15)11-6-10(16-3)9(7-13-12)5-8(11)2/h5-6H,4,7H2,1-3H3/q+1
InChIKeyVFWOXVCTDFMVEL-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.15
Rot. Bonds4

About (4-ethylsulfonyl-2-methoxy-5-methylphenyl)methanediazonium

(4-ethylsulfonyl-2-methoxy-5-methylphenyl)methanediazonium (PubChem CID 88788816) has the molecular formula C11H15N2O3S+ and a molecular weight of 255.32 g/mol. Its IUPAC name is (4-ethylsulfonyl-2-methoxy-5-methylphenyl)methanediazonium.

Molecular Properties

Compound Name(4-ethylsulfonyl-2-methoxy-5-methylphenyl)methanediazonium
PubChem CID88788816
Molecular FormulaC11H15N2O3S+
Molecular Weight255.32 g/mol
Exact Mass255.08
IUPAC Name(4-ethylsulfonyl-2-methoxy-5-methylphenyl)methanediazonium
SMILESCCS(=O)(=O)c1cc(OC)c(C[N+]#N)cc1C
InChIInChI=1S/C11H15N2O3S/c1-4-17(14,15)11-6-10(16-3)9(7-13-12)5-8(11)2/h5-6H,4,7H2,1-3H3/q+1
InChIKeyVFWOXVCTDFMVEL-UHFFFAOYSA-N
XLogP2.15
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

4-(2-hydroxyethylsulfonyl)-2-methoxy-5-methylbenzenediazonium
CID 20568681
2-(4,5-dimethoxy-2-methylphenyl)sulfonylethanol
CID 116852786
1-ethylsulfonyl-4-methoxy-2-methylbenzene
CID 69494919
(2S)-1-(4-ethylsulfonyl-2,5-dimethoxyphenyl)propan-2-amine
CID 101190835
2-methoxy-5-methyl-4-methylsulfonylbenzenediazonium
CID 20568679
N,N-diethyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 60744825
2-methoxy-4-(2-methoxyethylsulfonyl)-5-methylaniline
CID 54414311
3-(4-methoxy-2,5-dimethylphenyl)sulfonylpropanenitrile
CID 28753127
4,5-dimethoxy-2-methylbenzenesulfonyl fluoride
CID 82475781
1-ethylsulfonyl-2-methoxybenzene
CID 12920561
4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35299033
N,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 2284278

Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfonyl-2-methoxy-5-methylphenyl)methanediazonium?
The IUPAC name of (4-ethylsulfonyl-2-methoxy-5-methylphenyl)methanediazonium (CID 88788816) is (4-ethylsulfonyl-2-methoxy-5-methylphenyl)methanediazonium.
What is the SMILES notation for (4-ethylsulfonyl-2-methoxy-5-methylphenyl)methanediazonium?
The canonical SMILES for (4-ethylsulfonyl-2-methoxy-5-methylphenyl)methanediazonium is CCS(=O)(=O)c1cc(OC)c(C[N+]#N)cc1C.
What is the InChIKey of (4-ethylsulfonyl-2-methoxy-5-methylphenyl)methanediazonium?
The InChIKey is VFWOXVCTDFMVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N2O3S/c1-4-17(14,15)11-6-10(16-3)9(7-13-12)5-8(11)2/h5-6H,4,7H2,1-3H3/q+1.
What are the key properties of (4-ethylsulfonyl-2-methoxy-5-methylphenyl)methanediazonium?
(4-ethylsulfonyl-2-methoxy-5-methylphenyl)methanediazonium has a molecular weight of 255.32 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfonyl-2-methoxy-5-methylphenyl)methanediazonium is sourced from PubChem (CID 88788816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).