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

C15H15N3O3S — CID 10087191

IUPAC5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2cccc3c(N)cccc23)c1C
InChIInChI=1S/C15H15N3O3S/c1-9-10(2)17-21-15(9)18-22(19,20)14-8-4-5-11-12(14)6-3-7-13(11)16/h3-8,18H,16H2,1-2H3
InChIKeyZROYYHDKAAJDKF-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.83
Rot. Bonds3

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

5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide (PubChem CID 10087191) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide
PubChem CID10087191
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2cccc3c(N)cccc23)c1C
InChIInChI=1S/C15H15N3O3S/c1-9-10(2)17-21-15(9)18-22(19,20)14-8-4-5-11-12(14)6-3-7-13(11)16/h3-8,18H,16H2,1-2H3
InChIKeyZROYYHDKAAJDKF-UHFFFAOYSA-N
XLogP2.83
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.83
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 5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide?
The IUPAC name of 5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide (CID 10087191) is 5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for 5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide?
The canonical SMILES for 5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide is Cc1noc(NS(=O)(=O)c2cccc3c(N)cccc23)c1C.
What is the InChIKey of 5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide?
The InChIKey is ZROYYHDKAAJDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-9-10(2)17-21-15(9)18-22(19,20)14-8-4-5-11-12(14)6-3-7-13(11)16/h3-8,18H,16H2,1-2H3.
What are the key properties of 5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide?
5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide has a molecular weight of 317.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 10087191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).