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

C19H14ClF3N2O3S — CID 164618909

IUPACN-[3-chloro-4-(trifluoromethyl)phenyl]-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)c(Cl)c1)c1ccc(-c2cnc(C3CC3)o2)cc1
InChIInChI=1S/C19H14ClF3N2O3S/c20-16-9-13(5-8-15(16)19(21,22)23)25-29(26,27)14-6-3-11(4-7-14)17-10-24-18(28-17)12-1-2-12/h3-10,12,25H,1-2H2
InChIKeyHIRCMMOTKQXXML-UHFFFAOYSA-N
MW442.85 g/mol
LogP5.69
Rot. Bonds5

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

N-[3-chloro-4-(trifluoromethyl)phenyl]-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide (PubChem CID 164618909) has the molecular formula C19H14ClF3N2O3S and a molecular weight of 442.85 g/mol. Its IUPAC name is N-[3-chloro-4-(trifluoromethyl)phenyl]-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-chloro-4-(trifluoromethyl)phenyl]-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
PubChem CID164618909
Molecular FormulaC19H14ClF3N2O3S
Molecular Weight442.85 g/mol
Exact Mass442.04
IUPAC NameN-[3-chloro-4-(trifluoromethyl)phenyl]-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)c(Cl)c1)c1ccc(-c2cnc(C3CC3)o2)cc1
InChIInChI=1S/C19H14ClF3N2O3S/c20-16-9-13(5-8-15(16)19(21,22)23)25-29(26,27)14-6-3-11(4-7-14)17-10-24-18(28-17)12-1-2-12/h3-10,12,25H,1-2H2
InChIKeyHIRCMMOTKQXXML-UHFFFAOYSA-N
XLogP5.69
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.85
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(trifluoromethyl)phenyl]-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-[3-chloro-4-(trifluoromethyl)phenyl]-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide (CID 164618909) is N-[3-chloro-4-(trifluoromethyl)phenyl]-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-[3-chloro-4-(trifluoromethyl)phenyl]-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-[3-chloro-4-(trifluoromethyl)phenyl]-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ccc(C(F)(F)F)c(Cl)c1)c1ccc(-c2cnc(C3CC3)o2)cc1.
What is the InChIKey of N-[3-chloro-4-(trifluoromethyl)phenyl]-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide?
The InChIKey is HIRCMMOTKQXXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2O3S/c20-16-9-13(5-8-15(16)19(21,22)23)25-29(26,27)14-6-3-11(4-7-14)17-10-24-18(28-17)12-1-2-12/h3-10,12,25H,1-2H2.
What are the key properties of N-[3-chloro-4-(trifluoromethyl)phenyl]-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide?
N-[3-chloro-4-(trifluoromethyl)phenyl]-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide has a molecular weight of 442.85 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(trifluoromethyl)phenyl]-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 164618909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).