3-amino-4-[methyl(oxan-4-yl)sulfamoyl]benzamide

C13H19N3O4S — CID 81466272

IUPAC3-amino-4-[methyl(oxan-4-yl)sulfamoyl]benzamide
SMILESCN(C1CCOCC1)S(=O)(=O)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C13H19N3O4S/c1-16(10-4-6-20-7-5-10)21(18,19)12-3-2-9(13(15)17)8-11(12)14/h2-3,8,10H,4-7,14H2,1H3,(H2,15,17)
InChIKeyQGJSZWZVEAHTKT-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.17
Rot. Bonds4

About 3-amino-4-[methyl(oxan-4-yl)sulfamoyl]benzamide

3-amino-4-[methyl(oxan-4-yl)sulfamoyl]benzamide (PubChem CID 81466272) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-amino-4-[methyl(oxan-4-yl)sulfamoyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[methyl(oxan-4-yl)sulfamoyl]benzamide
PubChem CID81466272
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name3-amino-4-[methyl(oxan-4-yl)sulfamoyl]benzamide
SMILESCN(C1CCOCC1)S(=O)(=O)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C13H19N3O4S/c1-16(10-4-6-20-7-5-10)21(18,19)12-3-2-9(13(15)17)8-11(12)14/h2-3,8,10H,4-7,14H2,1H3,(H2,15,17)
InChIKeyQGJSZWZVEAHTKT-UHFFFAOYSA-N
XLogP0.17
TPSA115.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-3-[methyl(oxan-4-yl)sulfamoyl]benzoic acid
CID 43610883
3-amino-4-(diethylsulfamoyl)benzamide
CID 81470581
2-amino-4-cyano-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82741463
2-amino-N-cyclopentyl-N,4-dimethylbenzenesulfonamide
CID 43266857
3-bromo-4-[methyl(oxolan-3-yl)sulfamoyl]benzoic acid
CID 82733920
3-amino-4-[cyclopropyl(methyl)amino]benzamide
CID 43448462
3-amino-4-chloro-N-methyl-N-(oxan-4-yl)benzamide
CID 43610598
5-methyl-4-[methyl(oxan-4-yl)sulfamoyl]furan-2-carboxylic acid
CID 62803631
methyl 3-[(2-amino-4-carbamoylphenyl)sulfonyl-methylamino]propanoate
CID 81466282
5-chloro-3-[methyl(oxan-4-yl)sulfamoyl]-1H-indole-2-carboxamide
CID 10067849
3-amino-4-(cyclobutylsulfamoyl)benzamide
CID 81471203
4-amino-2-cyano-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82740986

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[methyl(oxan-4-yl)sulfamoyl]benzamide?
The IUPAC name of 3-amino-4-[methyl(oxan-4-yl)sulfamoyl]benzamide (CID 81466272) is 3-amino-4-[methyl(oxan-4-yl)sulfamoyl]benzamide.
What is the SMILES notation for 3-amino-4-[methyl(oxan-4-yl)sulfamoyl]benzamide?
The canonical SMILES for 3-amino-4-[methyl(oxan-4-yl)sulfamoyl]benzamide is CN(C1CCOCC1)S(=O)(=O)c1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-[methyl(oxan-4-yl)sulfamoyl]benzamide?
The InChIKey is QGJSZWZVEAHTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-16(10-4-6-20-7-5-10)21(18,19)12-3-2-9(13(15)17)8-11(12)14/h2-3,8,10H,4-7,14H2,1H3,(H2,15,17).
What are the key properties of 3-amino-4-[methyl(oxan-4-yl)sulfamoyl]benzamide?
3-amino-4-[methyl(oxan-4-yl)sulfamoyl]benzamide has a molecular weight of 313.38 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[methyl(oxan-4-yl)sulfamoyl]benzamide is sourced from PubChem (CID 81466272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).