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

C10H11N3O3S2 — CID 106921312

IUPAC2-amino-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Sc2ncco2)cc1N
InChIInChI=1S/C10H11N3O3S2/c1-12-18(14,15)9-3-2-7(6-8(9)11)17-10-13-4-5-16-10/h2-6,12H,11H2,1H3
InChIKeyASHOGKXWZYMHLV-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.32
Rot. Bonds4

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

2-amino-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide (PubChem CID 106921312) has the molecular formula C10H11N3O3S2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-amino-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide
PubChem CID106921312
Molecular FormulaC10H11N3O3S2
Molecular Weight285.35 g/mol
Exact Mass285.02
IUPAC Name2-amino-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Sc2ncco2)cc1N
InChIInChI=1S/C10H11N3O3S2/c1-12-18(14,15)9-3-2-7(6-8(9)11)17-10-13-4-5-16-10/h2-6,12H,11H2,1H3
InChIKeyASHOGKXWZYMHLV-UHFFFAOYSA-N
XLogP1.32
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
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 2-amino-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide?
The IUPAC name of 2-amino-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide (CID 106921312) is 2-amino-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide is CNS(=O)(=O)c1ccc(Sc2ncco2)cc1N.
What is the InChIKey of 2-amino-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide?
The InChIKey is ASHOGKXWZYMHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S2/c1-12-18(14,15)9-3-2-7(6-8(9)11)17-10-13-4-5-16-10/h2-6,12H,11H2,1H3.
What are the key properties of 2-amino-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide?
2-amino-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide has a molecular weight of 285.35 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide is sourced from PubChem (CID 106921312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).