N-(1,3-benzodioxol-5-yl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide

C19H16N2O5S — CID 20959092

IUPACN-(1,3-benzodioxol-5-yl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(-c2cnc(C3CC3)o2)cc1
InChIInChI=1S/C19H16N2O5S/c22-27(23,21-14-5-8-16-17(9-14)25-11-24-16)15-6-3-12(4-7-15)18-10-20-19(26-18)13-1-2-13/h3-10,13,21H,1-2,11H2
InChIKeyPKNGVGJOTRXVLE-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.75
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide

N-(1,3-benzodioxol-5-yl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide (PubChem CID 20959092) has the molecular formula C19H16N2O5S and a molecular weight of 384.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
PubChem CID20959092
Molecular FormulaC19H16N2O5S
Molecular Weight384.41 g/mol
Exact Mass384.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(-c2cnc(C3CC3)o2)cc1
InChIInChI=1S/C19H16N2O5S/c22-27(23,21-14-5-8-16-17(9-14)25-11-24-16)15-6-3-12(4-7-15)18-10-20-19(26-18)13-1-2-13/h3-10,13,21H,1-2,11H2
InChIKeyPKNGVGJOTRXVLE-UHFFFAOYSA-N
XLogP3.75
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.75
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)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide (CID 20959092) is N-(1,3-benzodioxol-5-yl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(-c2cnc(C3CC3)o2)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide?
The InChIKey is PKNGVGJOTRXVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5S/c22-27(23,21-14-5-8-16-17(9-14)25-11-24-16)15-6-3-12(4-7-15)18-10-20-19(26-18)13-1-2-13/h3-10,13,21H,1-2,11H2.
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide?
N-(1,3-benzodioxol-5-yl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide has a molecular weight of 384.41 g/mol, XLogP of 3.75, 5 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)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 20959092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).