2-(methoxyamino)-N-methylbenzenesulfonamide

C8H12N2O3S — CID 23002402

IUPAC2-(methoxyamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NOC
InChIInChI=1S/C8H12N2O3S/c1-9-14(11,12)8-6-4-3-5-7(8)10-13-2/h3-6,9-10H,1-2H3
InChIKeyVMQCJPILZXKRRA-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.57
Rot. Bonds4

About 2-(methoxyamino)-N-methylbenzenesulfonamide

2-(methoxyamino)-N-methylbenzenesulfonamide (PubChem CID 23002402) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 2-(methoxyamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-(methoxyamino)-N-methylbenzenesulfonamide
PubChem CID23002402
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name2-(methoxyamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NOC
InChIInChI=1S/C8H12N2O3S/c1-9-14(11,12)8-6-4-3-5-7(8)10-13-2/h3-6,9-10H,1-2H3
InChIKeyVMQCJPILZXKRRA-UHFFFAOYSA-N
XLogP0.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-N-methylbenzenesulfonamide
CID 43454289
2-(2-methoxypropylamino)-N-methylbenzenesulfonamide
CID 102698834
2-(cyclopropylamino)-N-methylbenzenesulfonamide
CID 43454291
N-methyl-2-(3-methylpentan-2-ylamino)benzenesulfonamide
CID 43749839
2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 62951903
2-(2,2-difluoroethylamino)-N-methylbenzenesulfonamide
CID 115407635
2-[(2-methoxy-3-pyridinyl)methylamino]-N-methylbenzenesulfonamide
CID 60859341
2-(hexan-3-ylamino)-N-methylbenzenesulfonamide
CID 62119321
2-(2,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 64596946
2-[(2-methoxy-4-pyridinyl)methylamino]-N-methylbenzenesulfonamide
CID 62995922
2-[(4-ethylcyclohexyl)methylamino]-N-methylbenzenesulfonamide
CID 60972017
2-tert-butyl-N-methylbenzenesulfonamide
CID 118909876

Frequently Asked Questions

What is the IUPAC name of 2-(methoxyamino)-N-methylbenzenesulfonamide?
The IUPAC name of 2-(methoxyamino)-N-methylbenzenesulfonamide (CID 23002402) is 2-(methoxyamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-(methoxyamino)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-(methoxyamino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1NOC.
What is the InChIKey of 2-(methoxyamino)-N-methylbenzenesulfonamide?
The InChIKey is VMQCJPILZXKRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-9-14(11,12)8-6-4-3-5-7(8)10-13-2/h3-6,9-10H,1-2H3.
What are the key properties of 2-(methoxyamino)-N-methylbenzenesulfonamide?
2-(methoxyamino)-N-methylbenzenesulfonamide has a molecular weight of 216.26 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxyamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 23002402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).