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

C18H14Cl2N2O3S — CID 164619967

IUPAC4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,4-dichlorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc(-c2cnc(C3CC3)o2)cc1
InChIInChI=1S/C18H14Cl2N2O3S/c19-13-5-8-16(15(20)9-13)22-26(23,24)14-6-3-11(4-7-14)17-10-21-18(25-17)12-1-2-12/h3-10,12,22H,1-2H2
InChIKeyIUQLCJQWLPNHSA-UHFFFAOYSA-N
MW409.29 g/mol
LogP5.33
Rot. Bonds5

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

4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,4-dichlorophenyl)benzenesulfonamide (PubChem CID 164619967) has the molecular formula C18H14Cl2N2O3S and a molecular weight of 409.29 g/mol. Its IUPAC name is 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,4-dichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,4-dichlorophenyl)benzenesulfonamide
PubChem CID164619967
Molecular FormulaC18H14Cl2N2O3S
Molecular Weight409.29 g/mol
Exact Mass408.01
IUPAC Name4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,4-dichlorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc(-c2cnc(C3CC3)o2)cc1
InChIInChI=1S/C18H14Cl2N2O3S/c19-13-5-8-16(15(20)9-13)22-26(23,24)14-6-3-11(4-7-14)17-10-21-18(25-17)12-1-2-12/h3-10,12,22H,1-2H2
InChIKeyIUQLCJQWLPNHSA-UHFFFAOYSA-N
XLogP5.33
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.29
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,4-dichlorophenyl)benzenesulfonamide?
The IUPAC name of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,4-dichlorophenyl)benzenesulfonamide (CID 164619967) is 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,4-dichlorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,4-dichlorophenyl)benzenesulfonamide?
The canonical SMILES for 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,4-dichlorophenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc(-c2cnc(C3CC3)o2)cc1.
What is the InChIKey of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,4-dichlorophenyl)benzenesulfonamide?
The InChIKey is IUQLCJQWLPNHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3S/c19-13-5-8-16(15(20)9-13)22-26(23,24)14-6-3-11(4-7-14)17-10-21-18(25-17)12-1-2-12/h3-10,12,22H,1-2H2.
What are the key properties of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,4-dichlorophenyl)benzenesulfonamide?
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,4-dichlorophenyl)benzenesulfonamide has a molecular weight of 409.29 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,4-dichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 164619967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).