4-[2-(methanesulfonamido)ethoxy]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

C13H17N3O6S2 — CID 2231243

IUPAC4-[2-(methanesulfonamido)ethoxy]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(OCCNS(C)(=O)=O)cc2)no1
InChIInChI=1S/C13H17N3O6S2/c1-10-9-13(15-22-10)16-24(19,20)12-5-3-11(4-6-12)21-8-7-14-23(2,17)18/h3-6,9,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyCCGRSCOTRGGFLE-UHFFFAOYSA-N
MW375.43 g/mol
LogP0.71
Rot. Bonds8

About 4-[2-(methanesulfonamido)ethoxy]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

4-[2-(methanesulfonamido)ethoxy]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 2231243) has the molecular formula C13H17N3O6S2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-[2-(methanesulfonamido)ethoxy]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(methanesulfonamido)ethoxy]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID2231243
Molecular FormulaC13H17N3O6S2
Molecular Weight375.43 g/mol
Exact Mass375.06
IUPAC Name4-[2-(methanesulfonamido)ethoxy]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(OCCNS(C)(=O)=O)cc2)no1
InChIInChI=1S/C13H17N3O6S2/c1-10-9-13(15-22-10)16-24(19,20)12-5-3-11(4-6-12)21-8-7-14-23(2,17)18/h3-6,9,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyCCGRSCOTRGGFLE-UHFFFAOYSA-N
XLogP0.71
TPSA127.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(methanesulfonamido)ethoxy]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-[2-(methanesulfonamido)ethoxy]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 2231243) is 4-[2-(methanesulfonamido)ethoxy]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-[2-(methanesulfonamido)ethoxy]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-[2-(methanesulfonamido)ethoxy]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(OCCNS(C)(=O)=O)cc2)no1.
What is the InChIKey of 4-[2-(methanesulfonamido)ethoxy]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is CCGRSCOTRGGFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O6S2/c1-10-9-13(15-22-10)16-24(19,20)12-5-3-11(4-6-12)21-8-7-14-23(2,17)18/h3-6,9,14H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 4-[2-(methanesulfonamido)ethoxy]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
4-[2-(methanesulfonamido)ethoxy]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 375.43 g/mol, XLogP of 0.71, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methanesulfonamido)ethoxy]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 2231243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).