N-(1,3-benzodioxol-5-yl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide

C18H16N2O5S — CID 20958946

IUPACN-(1,3-benzodioxol-5-yl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCc1ncc(-c2ccc(C)c(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)o1
InChIInChI=1S/C18H16N2O5S/c1-11-3-4-13(17-9-19-12(2)25-17)7-18(11)26(21,22)20-14-5-6-15-16(8-14)24-10-23-15/h3-9,20H,10H2,1-2H3
InChIKeyQAZLLPSUTVBRMA-UHFFFAOYSA-N
MW372.40 g/mol
LogP3.49
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide

N-(1,3-benzodioxol-5-yl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide (PubChem CID 20958946) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
PubChem CID20958946
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCc1ncc(-c2ccc(C)c(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)o1
InChIInChI=1S/C18H16N2O5S/c1-11-3-4-13(17-9-19-12(2)25-17)7-18(11)26(21,22)20-14-5-6-15-16(8-14)24-10-23-15/h3-9,20H,10H2,1-2H3
InChIKeyQAZLLPSUTVBRMA-UHFFFAOYSA-N
XLogP3.49
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide (CID 20958946) is N-(1,3-benzodioxol-5-yl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide is Cc1ncc(-c2ccc(C)c(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)o1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The InChIKey is QAZLLPSUTVBRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c1-11-3-4-13(17-9-19-12(2)25-17)7-18(11)26(21,22)20-14-5-6-15-16(8-14)24-10-23-15/h3-9,20H,10H2,1-2H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
N-(1,3-benzodioxol-5-yl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide has a molecular weight of 372.40 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 20958946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).