3-amino-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfamoyl]benzamide

C12H14N4O4S — CID 81465783

IUPAC3-amino-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfamoyl]benzamide
SMILESCc1cc(CNS(=O)(=O)c2ccc(C(N)=O)cc2N)no1
InChIInChI=1S/C12H14N4O4S/c1-7-4-9(16-20-7)6-15-21(18,19)11-3-2-8(12(14)17)5-10(11)13/h2-5,15H,6,13H2,1H3,(H2,14,17)
InChIKeyDFSOVJMOKYZEAK-UHFFFAOYSA-N
MW310.34 g/mol
LogP0.14
Rot. Bonds5

About 3-amino-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfamoyl]benzamide

3-amino-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfamoyl]benzamide (PubChem CID 81465783) has the molecular formula C12H14N4O4S and a molecular weight of 310.34 g/mol. Its IUPAC name is 3-amino-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfamoyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfamoyl]benzamide
PubChem CID81465783
Molecular FormulaC12H14N4O4S
Molecular Weight310.34 g/mol
Exact Mass310.07
IUPAC Name3-amino-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfamoyl]benzamide
SMILESCc1cc(CNS(=O)(=O)c2ccc(C(N)=O)cc2N)no1
InChIInChI=1S/C12H14N4O4S/c1-7-4-9(16-20-7)6-15-21(18,19)11-3-2-8(12(14)17)5-10(11)13/h2-5,15H,6,13H2,1H3,(H2,14,17)
InChIKeyDFSOVJMOKYZEAK-UHFFFAOYSA-N
XLogP0.14
TPSA141.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 50.14
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

3-amino-4-[(5-methylfuran-2-yl)methylsulfamoyl]benzamide
CID 81466871
methyl 3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfamoyl]benzoate
CID 51107350
3-amino-4-[(1-methylpyrazol-4-yl)methylsulfamoyl]benzamide
CID 81466386
4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzamide
CID 47124661
3-amino-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide
CID 107213320
3-amino-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid
CID 81471487
3-amino-4-(3-methylbut-2-enylsulfamoyl)benzamide
CID 106180456
3-amino-4-[(2-methyloxolan-2-yl)methylsulfamoyl]benzamide
CID 81457835
2-methoxy-4,5-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
CID 110714475
3-amino-4-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]benzamide
CID 81471363
3-amino-4-(pyrimidin-2-ylsulfamoyl)benzamide
CID 81471489
3-amino-4-[(1-methylcyclopropyl)sulfamoyl]benzamide
CID 113485239

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfamoyl]benzamide?
The IUPAC name of 3-amino-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfamoyl]benzamide (CID 81465783) is 3-amino-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfamoyl]benzamide.
What is the SMILES notation for 3-amino-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfamoyl]benzamide?
The canonical SMILES for 3-amino-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfamoyl]benzamide is Cc1cc(CNS(=O)(=O)c2ccc(C(N)=O)cc2N)no1.
What is the InChIKey of 3-amino-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfamoyl]benzamide?
The InChIKey is DFSOVJMOKYZEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c1-7-4-9(16-20-7)6-15-21(18,19)11-3-2-8(12(14)17)5-10(11)13/h2-5,15H,6,13H2,1H3,(H2,14,17).
What are the key properties of 3-amino-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfamoyl]benzamide?
3-amino-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfamoyl]benzamide has a molecular weight of 310.34 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfamoyl]benzamide is sourced from PubChem (CID 81465783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).