4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine

C21H14ClFN2O3S — CID 18826891

IUPAC4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccccc2F)oc1Nc1ccccc1
InChIInChI=1S/C21H14ClFN2O3S/c22-14-10-12-16(13-11-14)29(26,27)21-20(24-15-6-2-1-3-7-15)28-19(25-21)17-8-4-5-9-18(17)23/h1-13,24H
InChIKeyBOXRSGVHDFKYTO-UHFFFAOYSA-N
MW428.87 g/mol
LogP5.71
Rot. Bonds5

About 4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine

4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine (PubChem CID 18826891) has the molecular formula C21H14ClFN2O3S and a molecular weight of 428.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine
PubChem CID18826891
Molecular FormulaC21H14ClFN2O3S
Molecular Weight428.87 g/mol
Exact Mass428.04
IUPAC Name4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccccc2F)oc1Nc1ccccc1
InChIInChI=1S/C21H14ClFN2O3S/c22-14-10-12-16(13-11-14)29(26,27)21-20(24-15-6-2-1-3-7-15)28-19(25-21)17-8-4-5-9-18(17)23/h1-13,24H
InChIKeyBOXRSGVHDFKYTO-UHFFFAOYSA-N
XLogP5.71
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.87
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine (CID 18826891) is 4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine is O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccccc2F)oc1Nc1ccccc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine?
The InChIKey is BOXRSGVHDFKYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN2O3S/c22-14-10-12-16(13-11-14)29(26,27)21-20(24-15-6-2-1-3-7-15)28-19(25-21)17-8-4-5-9-18(17)23/h1-13,24H.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine?
4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine has a molecular weight of 428.87 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine is sourced from PubChem (CID 18826891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).