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

C14H13N3O3S — CID 115944383

IUPAC4-amino-N-(3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(N)c3ccccc23)on1
InChIInChI=1S/C14H13N3O3S/c1-9-8-14(20-16-9)17-21(18,19)13-7-6-12(15)10-4-2-3-5-11(10)13/h2-8,17H,15H2,1H3
InChIKeyMMQOEISDIYMLGA-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.52
Rot. Bonds3

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

4-amino-N-(3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide (PubChem CID 115944383) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is 4-amino-N-(3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide
PubChem CID115944383
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name4-amino-N-(3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(N)c3ccccc23)on1
InChIInChI=1S/C14H13N3O3S/c1-9-8-14(20-16-9)17-21(18,19)13-7-6-12(15)10-4-2-3-5-11(10)13/h2-8,17H,15H2,1H3
InChIKeyMMQOEISDIYMLGA-UHFFFAOYSA-N
XLogP2.52
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.52
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)naphthalene-1-sulfonamide?
The IUPAC name of 4-amino-N-(3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide (CID 115944383) is 4-amino-N-(3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for 4-amino-N-(3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide?
The canonical SMILES for 4-amino-N-(3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide is Cc1cc(NS(=O)(=O)c2ccc(N)c3ccccc23)on1.
What is the InChIKey of 4-amino-N-(3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide?
The InChIKey is MMQOEISDIYMLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-9-8-14(20-16-9)17-21(18,19)13-7-6-12(15)10-4-2-3-5-11(10)13/h2-8,17H,15H2,1H3.
What are the key properties of 4-amino-N-(3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide?
4-amino-N-(3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide has a molecular weight of 303.34 g/mol, XLogP of 2.52, 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)naphthalene-1-sulfonamide is sourced from PubChem (CID 115944383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).