4-amino-N-methoxy-N-methylbenzenesulfonamide

C8H12N2O3S — CID 4962658

IUPAC4-amino-N-methoxy-N-methylbenzenesulfonamide
SMILESCON(C)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C8H12N2O3S/c1-10(13-2)14(11,12)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3
InChIKeyDOUAEAXZVWSUCT-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.45
Rot. Bonds3

About 4-amino-N-methoxy-N-methylbenzenesulfonamide

4-amino-N-methoxy-N-methylbenzenesulfonamide (PubChem CID 4962658) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 4-amino-N-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-methoxy-N-methylbenzenesulfonamide
PubChem CID4962658
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name4-amino-N-methoxy-N-methylbenzenesulfonamide
SMILESCON(C)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C8H12N2O3S/c1-10(13-2)14(11,12)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3
InChIKeyDOUAEAXZVWSUCT-UHFFFAOYSA-N
XLogP0.45
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[methoxy(methyl)sulfamoyl]benzamide
CID 47116565
methyl 4-[methoxy(methyl)sulfamoyl]benzoate
CID 35459995
N-methoxy-N-methyl-4-propylbenzenesulfonamide
CID 60660891
4-(4-aminophenoxy)-N,N-dimethylbenzenesulfonamide
CID 12943036
4-amino-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849708
methyl 2-[(4-aminophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955213
4-amino-2,6-difluoro-N-methoxy-N-methylbenzenesulfonamide
CID 60985983
4-[[(4-tert-butylbenzoyl)amino]carbamoyl]-N-methoxy-N-methylbenzenesulfonamide
CID 9327451
4-amino-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 61111847
[2-(4-chlorophenyl)-2-oxoethyl] 4-[methoxy(methyl)sulfamoyl]benzoate
CID 8943217
4-[4-(dimethylamino)phenyl]sulfonylaniline
CID 516668
[2-(N-methylanilino)-2-oxoethyl] 4-[methoxy(methyl)sulfamoyl]benzoate
CID 8943232

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-methoxy-N-methylbenzenesulfonamide (CID 4962658) is 4-amino-N-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-methoxy-N-methylbenzenesulfonamide is CON(C)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-methoxy-N-methylbenzenesulfonamide?
The InChIKey is DOUAEAXZVWSUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-10(13-2)14(11,12)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3.
What are the key properties of 4-amino-N-methoxy-N-methylbenzenesulfonamide?
4-amino-N-methoxy-N-methylbenzenesulfonamide has a molecular weight of 216.26 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 4962658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).