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

C16H14N2O4S — CID 18948947

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-formylnaphthalene-1-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2cccc3c(C=O)cccc23)c1C
InChIInChI=1S/C16H14N2O4S/c1-10-11(2)17-22-16(10)18-23(20,21)15-8-4-6-13-12(9-19)5-3-7-14(13)15/h3-9,18H,1-2H3
InChIKeyOLBHGUVIMWZTTN-UHFFFAOYSA-N
MW330.37 g/mol
LogP3.06
Rot. Bonds4

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

N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-formylnaphthalene-1-sulfonamide (PubChem CID 18948947) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-formylnaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-formylnaphthalene-1-sulfonamide
PubChem CID18948947
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-formylnaphthalene-1-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2cccc3c(C=O)cccc23)c1C
InChIInChI=1S/C16H14N2O4S/c1-10-11(2)17-22-16(10)18-23(20,21)15-8-4-6-13-12(9-19)5-3-7-14(13)15/h3-9,18H,1-2H3
InChIKeyOLBHGUVIMWZTTN-UHFFFAOYSA-N
XLogP3.06
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-formylnaphthalene-1-sulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-formylnaphthalene-1-sulfonamide (CID 18948947) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-formylnaphthalene-1-sulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-formylnaphthalene-1-sulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-formylnaphthalene-1-sulfonamide is Cc1noc(NS(=O)(=O)c2cccc3c(C=O)cccc23)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-formylnaphthalene-1-sulfonamide?
The InChIKey is OLBHGUVIMWZTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-10-11(2)17-22-16(10)18-23(20,21)15-8-4-6-13-12(9-19)5-3-7-14(13)15/h3-9,18H,1-2H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-formylnaphthalene-1-sulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-formylnaphthalene-1-sulfonamide has a molecular weight of 330.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-formylnaphthalene-1-sulfonamide is sourced from PubChem (CID 18948947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).