3-N-(5-methyl-1,3-oxazol-2-yl)benzene-1,3-disulfonamide

C10H11N3O5S2 — CID 126811400

IUPAC3-N-(5-methyl-1,3-oxazol-2-yl)benzene-1,3-disulfonamide
SMILESCc1cnc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)o1
InChIInChI=1S/C10H11N3O5S2/c1-7-6-12-10(18-7)13-20(16,17)9-4-2-3-8(5-9)19(11,14)15/h2-6H,1H3,(H,12,13)(H2,11,14,15)
InChIKeyFIYPSWIXIKGOHG-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.43
Rot. Bonds4

About 3-N-(5-methyl-1,3-oxazol-2-yl)benzene-1,3-disulfonamide

3-N-(5-methyl-1,3-oxazol-2-yl)benzene-1,3-disulfonamide (PubChem CID 126811400) has the molecular formula C10H11N3O5S2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-N-(5-methyl-1,3-oxazol-2-yl)benzene-1,3-disulfonamide.

Molecular Properties

Compound Name3-N-(5-methyl-1,3-oxazol-2-yl)benzene-1,3-disulfonamide
PubChem CID126811400
Molecular FormulaC10H11N3O5S2
Molecular Weight317.35 g/mol
Exact Mass317.01
IUPAC Name3-N-(5-methyl-1,3-oxazol-2-yl)benzene-1,3-disulfonamide
SMILESCc1cnc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)o1
InChIInChI=1S/C10H11N3O5S2/c1-7-6-12-10(18-7)13-20(16,17)9-4-2-3-8(5-9)19(11,14)15/h2-6H,1H3,(H,12,13)(H2,11,14,15)
InChIKeyFIYPSWIXIKGOHG-UHFFFAOYSA-N
XLogP0.43
TPSA132.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-(1,3,5-trimethylpyrazol-4-yl)benzene-1,3-disulfonamide
CID 18292001
3-N-methoxybenzene-1,3-disulfonamide
CID 60713608
benzene-1,3-disulfonamide
CID 3090044
3-N-(4-ethylphenyl)benzene-1,3-disulfonamide
CID 31065784
3-N-(2-ethylphenyl)benzene-1,3-disulfonamide
CID 30286365
3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide
CID 31064512
3-N-[[6-(dimethylamino)-3-pyridinyl]methyl]benzene-1,3-disulfonamide
CID 55627731
3-methylbenzenesulfonamide
CID 69347063
3-N-naphthalen-1-ylbenzene-1,3-disulfonamide
CID 30285558
methyl 2-methyl-6-[(3-sulfamoylphenyl)sulfonylamino]benzoate
CID 18283717
3-N-(2-ethoxy-2-methylpropyl)benzene-1,3-disulfonamide
CID 114943745
3-N-(3-amino-2,2-difluoropropyl)benzene-1,3-disulfonamide
CID 114384038

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-methyl-1,3-oxazol-2-yl)benzene-1,3-disulfonamide?
The IUPAC name of 3-N-(5-methyl-1,3-oxazol-2-yl)benzene-1,3-disulfonamide (CID 126811400) is 3-N-(5-methyl-1,3-oxazol-2-yl)benzene-1,3-disulfonamide.
What is the SMILES notation for 3-N-(5-methyl-1,3-oxazol-2-yl)benzene-1,3-disulfonamide?
The canonical SMILES for 3-N-(5-methyl-1,3-oxazol-2-yl)benzene-1,3-disulfonamide is Cc1cnc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)o1.
What is the InChIKey of 3-N-(5-methyl-1,3-oxazol-2-yl)benzene-1,3-disulfonamide?
The InChIKey is FIYPSWIXIKGOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5S2/c1-7-6-12-10(18-7)13-20(16,17)9-4-2-3-8(5-9)19(11,14)15/h2-6H,1H3,(H,12,13)(H2,11,14,15).
What are the key properties of 3-N-(5-methyl-1,3-oxazol-2-yl)benzene-1,3-disulfonamide?
3-N-(5-methyl-1,3-oxazol-2-yl)benzene-1,3-disulfonamide has a molecular weight of 317.35 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-methyl-1,3-oxazol-2-yl)benzene-1,3-disulfonamide is sourced from PubChem (CID 126811400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).