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

C15H14N2O4S — CID 10336018

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-hydroxynaphthalene-1-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2cccc3c(O)cccc23)c1C
InChIInChI=1S/C15H14N2O4S/c1-9-10(2)16-21-15(9)17-22(19,20)14-8-4-5-11-12(14)6-3-7-13(11)18/h3-8,17-18H,1-2H3
InChIKeyYOPBFWQDJCIHDV-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.95
Rot. Bonds3

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

N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-hydroxynaphthalene-1-sulfonamide (PubChem CID 10336018) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-hydroxynaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-hydroxynaphthalene-1-sulfonamide
PubChem CID10336018
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-hydroxynaphthalene-1-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2cccc3c(O)cccc23)c1C
InChIInChI=1S/C15H14N2O4S/c1-9-10(2)16-21-15(9)17-22(19,20)14-8-4-5-11-12(14)6-3-7-13(11)18/h3-8,17-18H,1-2H3
InChIKeyYOPBFWQDJCIHDV-UHFFFAOYSA-N
XLogP2.95
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-hydroxynaphthalene-1-sulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-hydroxynaphthalene-1-sulfonamide (CID 10336018) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-hydroxynaphthalene-1-sulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-hydroxynaphthalene-1-sulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-hydroxynaphthalene-1-sulfonamide is Cc1noc(NS(=O)(=O)c2cccc3c(O)cccc23)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-hydroxynaphthalene-1-sulfonamide?
The InChIKey is YOPBFWQDJCIHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-9-10(2)16-21-15(9)17-22(19,20)14-8-4-5-11-12(14)6-3-7-13(11)18/h3-8,17-18H,1-2H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-hydroxynaphthalene-1-sulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-hydroxynaphthalene-1-sulfonamide has a molecular weight of 318.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 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-hydroxynaphthalene-1-sulfonamide is sourced from PubChem (CID 10336018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).