4-methyl-N-(3-naphthalen-2-yl-4,5-dihydro-1,2-oxazol-5-yl)benzenesulfonamide

C20H18N2O3S — CID 166063622

IUPAC4-methyl-N-(3-naphthalen-2-yl-4,5-dihydro-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CC(c3ccc4ccccc4c3)=NO2)cc1
InChIInChI=1S/C20H18N2O3S/c1-14-6-10-18(11-7-14)26(23,24)22-20-13-19(21-25-20)17-9-8-15-4-2-3-5-16(15)12-17/h2-12,20,22H,13H2,1H3
InChIKeyGXIWWKMVWNMXFP-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.58
Rot. Bonds4

About 4-methyl-N-(3-naphthalen-2-yl-4,5-dihydro-1,2-oxazol-5-yl)benzenesulfonamide

4-methyl-N-(3-naphthalen-2-yl-4,5-dihydro-1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 166063622) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 4-methyl-N-(3-naphthalen-2-yl-4,5-dihydro-1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(3-naphthalen-2-yl-4,5-dihydro-1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID166063622
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name4-methyl-N-(3-naphthalen-2-yl-4,5-dihydro-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CC(c3ccc4ccccc4c3)=NO2)cc1
InChIInChI=1S/C20H18N2O3S/c1-14-6-10-18(11-7-14)26(23,24)22-20-13-19(21-25-20)17-9-8-15-4-2-3-5-16(15)12-17/h2-12,20,22H,13H2,1H3
InChIKeyGXIWWKMVWNMXFP-UHFFFAOYSA-N
XLogP3.58
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-naphthalen-2-yl-4,5-dihydro-1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(3-naphthalen-2-yl-4,5-dihydro-1,2-oxazol-5-yl)benzenesulfonamide (CID 166063622) is 4-methyl-N-(3-naphthalen-2-yl-4,5-dihydro-1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(3-naphthalen-2-yl-4,5-dihydro-1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(3-naphthalen-2-yl-4,5-dihydro-1,2-oxazol-5-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CC(c3ccc4ccccc4c3)=NO2)cc1.
What is the InChIKey of 4-methyl-N-(3-naphthalen-2-yl-4,5-dihydro-1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is GXIWWKMVWNMXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-14-6-10-18(11-7-14)26(23,24)22-20-13-19(21-25-20)17-9-8-15-4-2-3-5-16(15)12-17/h2-12,20,22H,13H2,1H3.
What are the key properties of 4-methyl-N-(3-naphthalen-2-yl-4,5-dihydro-1,2-oxazol-5-yl)benzenesulfonamide?
4-methyl-N-(3-naphthalen-2-yl-4,5-dihydro-1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 366.44 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-naphthalen-2-yl-4,5-dihydro-1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 166063622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).