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

C11H14N4O3S — CID 82900736

IUPAC4-amino-N-methyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(NCc2ccon2)c1
InChIInChI=1S/C11H14N4O3S/c1-13-19(16,17)9-2-3-10(12)11(6-9)14-7-8-4-5-18-15-8/h2-6,13-14H,7,12H2,1H3
InChIKeySOGFBCGFEJMSQH-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.78
Rot. Bonds5

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

4-amino-N-methyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide (PubChem CID 82900736) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-amino-N-methyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide
PubChem CID82900736
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Name4-amino-N-methyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(NCc2ccon2)c1
InChIInChI=1S/C11H14N4O3S/c1-13-19(16,17)9-2-3-10(12)11(6-9)14-7-8-4-5-18-15-8/h2-6,13-14H,7,12H2,1H3
InChIKeySOGFBCGFEJMSQH-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

4-amino-N,N-dimethyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide
CID 82900882
4-amino-N-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)benzenesulfonamide
CID 106393414
4-amino-N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 82898098
4-amino-3-[(5-ethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 106007379
4-amino-3-(1,2-oxazol-3-ylmethylamino)benzamide
CID 81170855
4-amino-N-methyl-3-(2-methylsulfanylethylamino)benzenesulfonamide
CID 82901368
4-amino-3-[(2-bromophenyl)methylamino]-N-methylbenzenesulfonamide
CID 82900167
4-nitro-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine
CID 81170399
4-amino-N-methyl-3-(3-sulfamoylpropylamino)benzenesulfonamide
CID 82900018
3-[2-amino-5-(methylsulfamoyl)anilino]-2-hydroxypropanamide
CID 106166710
2-amino-4,5-dimethyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81169956
4-amino-3-(3-methoxypropylamino)-N-methylbenzenesulfonamide
CID 82898084

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide?
The IUPAC name of 4-amino-N-methyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide (CID 82900736) is 4-amino-N-methyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-methyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 4-amino-N-methyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(NCc2ccon2)c1.
What is the InChIKey of 4-amino-N-methyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide?
The InChIKey is SOGFBCGFEJMSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-13-19(16,17)9-2-3-10(12)11(6-9)14-7-8-4-5-18-15-8/h2-6,13-14H,7,12H2,1H3.
What are the key properties of 4-amino-N-methyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide?
4-amino-N-methyl-3-(1,2-oxazol-3-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 4-amino-N-methyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 82900736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).