5-amino-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide

C12H16N4O3S — CID 106369789

IUPAC5-amino-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide
SMILESCc1cnc(CNc2cc(N)cc(S(N)(=O)=O)c2C)o1
InChIInChI=1S/C12H16N4O3S/c1-7-5-16-12(19-7)6-15-10-3-9(13)4-11(8(10)2)20(14,17)18/h3-5,15H,6,13H2,1-2H3,(H2,14,17,18)
InChIKeyHLFFEXMTHFIYCX-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.13
Rot. Bonds4

About 5-amino-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide

5-amino-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide (PubChem CID 106369789) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 5-amino-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide
PubChem CID106369789
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name5-amino-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide
SMILESCc1cnc(CNc2cc(N)cc(S(N)(=O)=O)c2C)o1
InChIInChI=1S/C12H16N4O3S/c1-7-5-16-12(19-7)6-15-10-3-9(13)4-11(8(10)2)20(14,17)18/h3-5,15H,6,13H2,1-2H3,(H2,14,17,18)
InChIKeyHLFFEXMTHFIYCX-UHFFFAOYSA-N
XLogP1.13
TPSA124.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide?
The IUPAC name of 5-amino-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide (CID 106369789) is 5-amino-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide?
The canonical SMILES for 5-amino-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide is Cc1cnc(CNc2cc(N)cc(S(N)(=O)=O)c2C)o1.
What is the InChIKey of 5-amino-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide?
The InChIKey is HLFFEXMTHFIYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-7-5-16-12(19-7)6-15-10-3-9(13)4-11(8(10)2)20(14,17)18/h3-5,15H,6,13H2,1-2H3,(H2,14,17,18).
What are the key properties of 5-amino-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide?
5-amino-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 106369789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).