4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide

C21H17N3O4S — CID 20959115

IUPAC4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccno2)cc1)c1ccc(-c2cnc(C3CC3)o2)cc1
InChIInChI=1S/C21H17N3O4S/c25-29(26,24-17-7-3-14(4-8-17)19-11-12-23-28-19)18-9-5-15(6-10-18)20-13-22-21(27-20)16-1-2-16/h3-13,16,24H,1-2H2
InChIKeyUFQJEEBDLLAYGG-UHFFFAOYSA-N
MW407.45 g/mol
LogP4.67
Rot. Bonds6

About 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide

4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide (PubChem CID 20959115) has the molecular formula C21H17N3O4S and a molecular weight of 407.45 g/mol. Its IUPAC name is 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide
PubChem CID20959115
Molecular FormulaC21H17N3O4S
Molecular Weight407.45 g/mol
Exact Mass407.09
IUPAC Name4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccno2)cc1)c1ccc(-c2cnc(C3CC3)o2)cc1
InChIInChI=1S/C21H17N3O4S/c25-29(26,24-17-7-3-14(4-8-17)19-11-12-23-28-19)18-9-5-15(6-10-18)20-13-22-21(27-20)16-1-2-16/h3-13,16,24H,1-2H2
InChIKeyUFQJEEBDLLAYGG-UHFFFAOYSA-N
XLogP4.67
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide (CID 20959115) is 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(-c2ccno2)cc1)c1ccc(-c2cnc(C3CC3)o2)cc1.
What is the InChIKey of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide?
The InChIKey is UFQJEEBDLLAYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4S/c25-29(26,24-17-7-3-14(4-8-17)19-11-12-23-28-19)18-9-5-15(6-10-18)20-13-22-21(27-20)16-1-2-16/h3-13,16,24H,1-2H2.
What are the key properties of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide?
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide has a molecular weight of 407.45 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 20959115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).