N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydroxybenzenesulfonamide

C13H16N2O4S — CID 81245889

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydroxybenzenesulfonamide
SMILESCc1noc(C)c1C(C)NS(=O)(=O)c1ccccc1O
InChIInChI=1S/C13H16N2O4S/c1-8-13(10(3)19-14-8)9(2)15-20(17,18)12-7-5-4-6-11(12)16/h4-7,9,15-16H,1-3H3
InChIKeyNHZCBYAHHCYQQS-UHFFFAOYSA-N
MW296.35 g/mol
LogP2.04
Rot. Bonds4

About N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydroxybenzenesulfonamide

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydroxybenzenesulfonamide (PubChem CID 81245889) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydroxybenzenesulfonamide
PubChem CID81245889
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydroxybenzenesulfonamide
SMILESCc1noc(C)c1C(C)NS(=O)(=O)c1ccccc1O
InChIInChI=1S/C13H16N2O4S/c1-8-13(10(3)19-14-8)9(2)15-20(17,18)12-7-5-4-6-11(12)16/h4-7,9,15-16H,1-3H3
InChIKeyNHZCBYAHHCYQQS-UHFFFAOYSA-N
XLogP2.04
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydroxybenzenesulfonamide?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydroxybenzenesulfonamide (CID 81245889) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydroxybenzenesulfonamide.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydroxybenzenesulfonamide?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydroxybenzenesulfonamide is Cc1noc(C)c1C(C)NS(=O)(=O)c1ccccc1O.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydroxybenzenesulfonamide?
The InChIKey is NHZCBYAHHCYQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-8-13(10(3)19-14-8)9(2)15-20(17,18)12-7-5-4-6-11(12)16/h4-7,9,15-16H,1-3H3.
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydroxybenzenesulfonamide?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydroxybenzenesulfonamide has a molecular weight of 296.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 81245889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).