N-[4-(dimethylaminodiazenyl)phenyl]sulfonylethanimidate

C10H13N4O3S- — CID 3376884

IUPACN-[4-(dimethylaminodiazenyl)phenyl]sulfonylethanimidate
SMILESCC([O-])=NS(=O)(=O)c1ccc(/N=N/N(C)C)cc1
InChIInChI=1S/C10H14N4O3S/c1-8(15)12-18(16,17)10-6-4-9(5-7-10)11-13-14(2)3/h4-7H,1-3H3,(H,12,15)/p-1/b13-11+
InChIKeyHTPQXNBIHUKXMG-ACCUITESSA-M
MW269.31 g/mol
LogP0.71
Rot. Bonds4

About N-[4-(dimethylaminodiazenyl)phenyl]sulfonylethanimidate

N-[4-(dimethylaminodiazenyl)phenyl]sulfonylethanimidate (PubChem CID 3376884) has the molecular formula C10H13N4O3S- and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[4-(dimethylaminodiazenyl)phenyl]sulfonylethanimidate.

Molecular Properties

Compound NameN-[4-(dimethylaminodiazenyl)phenyl]sulfonylethanimidate
PubChem CID3376884
Molecular FormulaC10H13N4O3S-
Molecular Weight269.31 g/mol
Exact Mass269.07
IUPAC NameN-[4-(dimethylaminodiazenyl)phenyl]sulfonylethanimidate
SMILESCC([O-])=NS(=O)(=O)c1ccc(/N=N/N(C)C)cc1
InChIInChI=1S/C10H14N4O3S/c1-8(15)12-18(16,17)10-6-4-9(5-7-10)11-13-14(2)3/h4-7H,1-3H3,(H,12,15)/p-1/b13-11+
InChIKeyHTPQXNBIHUKXMG-ACCUITESSA-M
XLogP0.71
TPSA97.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

potassium (1E)-N-[4-(diethylaminodiazenyl)phenyl]sulfonylethanimidate
CID 23717064
potassium (1E)-N-[4-(dimethylaminodiazenyl)phenyl]sulfonylbutanimidate
CID 56642968
N-[4-[[4-[[4-(1-oxidoethylideneamino)sulfonylphenyl]diazenyl]piperazin-1-yl]diazenyl]phenyl]sulfonylethanimidate
CID 4123143
N-[4-(morpholin-4-yldiazenyl)phenyl]sulfonylethanimidate
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CID 3112790
potassium N-[4-(dimethylaminodiazenyl)phenyl]sulfonyladamantane-1-carboxamide
CID 126468671
4-[(Z)-2-[4-(dimethylaminodiazenyl)phenyl]ethenyl]phenol
CID 174506798
N'-(benzenesulfonyl)ethanimidamide
CID 3716690
2-[4-[(3,5-dioxopyrazolidin-4-yl)diazenyl]phenyl]sulfonylguanidine
CID 171855258
[4-(dimethylaminodiazenyl)phenyl]-(3-hydroxyphenyl)methanone
CID 122463860

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylaminodiazenyl)phenyl]sulfonylethanimidate?
The IUPAC name of N-[4-(dimethylaminodiazenyl)phenyl]sulfonylethanimidate (CID 3376884) is N-[4-(dimethylaminodiazenyl)phenyl]sulfonylethanimidate.
What is the SMILES notation for N-[4-(dimethylaminodiazenyl)phenyl]sulfonylethanimidate?
The canonical SMILES for N-[4-(dimethylaminodiazenyl)phenyl]sulfonylethanimidate is CC([O-])=NS(=O)(=O)c1ccc(/N=N/N(C)C)cc1.
What is the InChIKey of N-[4-(dimethylaminodiazenyl)phenyl]sulfonylethanimidate?
The InChIKey is HTPQXNBIHUKXMG-ACCUITESSA-M. The full InChI is InChI=1S/C10H14N4O3S/c1-8(15)12-18(16,17)10-6-4-9(5-7-10)11-13-14(2)3/h4-7H,1-3H3,(H,12,15)/p-1/b13-11+.
What are the key properties of N-[4-(dimethylaminodiazenyl)phenyl]sulfonylethanimidate?
N-[4-(dimethylaminodiazenyl)phenyl]sulfonylethanimidate has a molecular weight of 269.31 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylaminodiazenyl)phenyl]sulfonylethanimidate is sourced from PubChem (CID 3376884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).