3-amino-N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide

C11H14N4O3S — CID 106414398

IUPAC3-amino-N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2ccno2)c(N)c1
InChIInChI=1S/C11H14N4O3S/c1-13-19(16,17)9-2-3-11(10(12)6-9)14-7-8-4-5-15-18-8/h2-6,13-14H,7,12H2,1H3
InChIKeyBARAPKQLQZBRAM-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.78
Rot. Bonds5

About 3-amino-N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide

3-amino-N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide (PubChem CID 106414398) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-amino-N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide
PubChem CID106414398
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Name3-amino-N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2ccno2)c(N)c1
InChIInChI=1S/C11H14N4O3S/c1-13-19(16,17)9-2-3-11(10(12)6-9)14-7-8-4-5-15-18-8/h2-6,13-14H,7,12H2,1H3
InChIKeyBARAPKQLQZBRAM-UHFFFAOYSA-N
XLogP0.78
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide
CID 114186437
3-amino-N-methyl-4-(pyridin-4-ylmethylamino)benzenesulfonamide
CID 43449150
4-methyl-1-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine
CID 106414484
3-amino-N-methyl-4-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide
CID 63293527
3-amino-4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 106369348
3-amino-N-methyl-4-(2-methylsulfonylethylamino)benzenesulfonamide
CID 54935258
3-amino-4-(1,2-oxazol-5-ylmethylamino)benzamide
CID 106414526
3-amino-4-(tert-butylamino)-N-methylbenzenesulfonamide
CID 43449158
3-amino-N-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide
CID 79352658
3-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-methylbenzenesulfonamide
CID 115358102
3-(aminomethyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423936
3-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
CID 60920158

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide?
The IUPAC name of 3-amino-N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide (CID 106414398) is 3-amino-N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 3-amino-N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide is CNS(=O)(=O)c1ccc(NCc2ccno2)c(N)c1.
What is the InChIKey of 3-amino-N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide?
The InChIKey is BARAPKQLQZBRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-13-19(16,17)9-2-3-11(10(12)6-9)14-7-8-4-5-15-18-8/h2-6,13-14H,7,12H2,1H3.
What are the key properties of 3-amino-N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide?
3-amino-N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide has a molecular weight of 282.32 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 106414398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).