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

C17H14N2O5S — CID 20958832

IUPACN-(1,3-benzodioxol-5-yl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)cc2)o1
InChIInChI=1S/C17H14N2O5S/c1-11-18-9-17(24-11)12-2-5-14(6-3-12)25(20,21)19-13-4-7-15-16(8-13)23-10-22-15/h2-9,19H,10H2,1H3
InChIKeyWKFXKKGUFRYJGT-UHFFFAOYSA-N
MW358.38 g/mol
LogP3.18
Rot. Bonds4

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

N-(1,3-benzodioxol-5-yl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide (PubChem CID 20958832) has the molecular formula C17H14N2O5S and a molecular weight of 358.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
PubChem CID20958832
Molecular FormulaC17H14N2O5S
Molecular Weight358.38 g/mol
Exact Mass358.06
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)cc2)o1
InChIInChI=1S/C17H14N2O5S/c1-11-18-9-17(24-11)12-2-5-14(6-3-12)25(20,21)19-13-4-7-15-16(8-13)23-10-22-15/h2-9,19H,10H2,1H3
InChIKeyWKFXKKGUFRYJGT-UHFFFAOYSA-N
XLogP3.18
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 53.18
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-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide (CID 20958832) is N-(1,3-benzodioxol-5-yl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide is Cc1ncc(-c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)cc2)o1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The InChIKey is WKFXKKGUFRYJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5S/c1-11-18-9-17(24-11)12-2-5-14(6-3-12)25(20,21)19-13-4-7-15-16(8-13)23-10-22-15/h2-9,19H,10H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
N-(1,3-benzodioxol-5-yl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide has a molecular weight of 358.38 g/mol, XLogP of 3.18, 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)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 20958832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).