4-amino-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide

C10H11N3O3S — CID 10444974

IUPAC4-amino-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(N)cc2)on1
InChIInChI=1S/C10H11N3O3S/c1-7-6-10(16-12-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6,13H,11H2,1H3
InChIKeyKBLGZYOVYFTAOB-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.37
Rot. Bonds3

About 4-amino-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide

4-amino-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 10444974) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 4-amino-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID10444974
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name4-amino-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(N)cc2)on1
InChIInChI=1S/C10H11N3O3S/c1-7-6-10(16-12-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6,13H,11H2,1H3
InChIKeyKBLGZYOVYFTAOB-UHFFFAOYSA-N
XLogP1.37
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (CID 10444974) is 4-amino-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(N)cc2)on1.
What is the InChIKey of 4-amino-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is KBLGZYOVYFTAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-7-6-10(16-12-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6,13H,11H2,1H3.
What are the key properties of 4-amino-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
4-amino-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 253.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 10444974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).