5-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide

C10H11N3O3S2 — CID 106921335

IUPAC5-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide
SMILESCc1c(Sc2ncco2)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C10H11N3O3S2/c1-6-8(17-10-13-2-3-16-10)4-7(11)5-9(6)18(12,14)15/h2-5H,11H2,1H3,(H2,12,14,15)
InChIKeyIUXVOWXKXUOTMR-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.36
Rot. Bonds3

About 5-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide

5-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide (PubChem CID 106921335) has the molecular formula C10H11N3O3S2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide
PubChem CID106921335
Molecular FormulaC10H11N3O3S2
Molecular Weight285.35 g/mol
Exact Mass285.02
IUPAC Name5-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide
SMILESCc1c(Sc2ncco2)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C10H11N3O3S2/c1-6-8(17-10-13-2-3-16-10)4-7(11)5-9(6)18(12,14)15/h2-5H,11H2,1H3,(H2,12,14,15)
InChIKeyIUXVOWXKXUOTMR-UHFFFAOYSA-N
XLogP1.36
TPSA112.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(Difluoromethyl)-4-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921389
5-Fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921411
2-Methyl-5-(1,3-oxazol-5-ylmethylamino)benzenesulfonamide
CID 65964161
N,2-dimethyl-5-(1,3-oxazol-5-ylmethylamino)benzenesulfonamide
CID 65966340
5-Methyl-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921296
3-Methyl-4-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921298
4-amino-N,N-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide
CID 106921299
2-Methyl-5-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921306
2-amino-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide
CID 106921312
3-Methyl-5-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921316
5-Methylsulfonyl-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921324
3-(1,3-Oxazol-2-ylsulfanyl)aniline
CID 106921328

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide (CID 106921335) is 5-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide is Cc1c(Sc2ncco2)cc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide?
The InChIKey is IUXVOWXKXUOTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S2/c1-6-8(17-10-13-2-3-16-10)4-7(11)5-9(6)18(12,14)15/h2-5H,11H2,1H3,(H2,12,14,15).
What are the key properties of 5-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide?
5-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide has a molecular weight of 285.35 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide is sourced from PubChem (CID 106921335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).