N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide

C23H19Cl2F3N2O2S — CID 10164714

IUPACN-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H19Cl2F3N2O2S/c24-18-8-4-15(5-9-18)22(16-6-10-19(25)11-7-16)30-13-20(14-30)29-33(31,32)21-3-1-2-17(12-21)23(26,27)28/h1-12,20,22,29H,13-14H2
InChIKeyDAWGVADFKGPOFS-UHFFFAOYSA-N
MW515.38 g/mol
LogP5.76
Rot. Bonds6

About N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide

N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 10164714) has the molecular formula C23H19Cl2F3N2O2S and a molecular weight of 515.38 g/mol. Its IUPAC name is N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID10164714
Molecular FormulaC23H19Cl2F3N2O2S
Molecular Weight515.38 g/mol
Exact Mass514.05
IUPAC NameN-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H19Cl2F3N2O2S/c24-18-8-4-15(5-9-18)22(16-6-10-19(25)11-7-16)30-13-20(14-30)29-33(31,32)21-3-1-2-17(12-21)23(26,27)28/h1-12,20,22,29H,13-14H2
InChIKeyDAWGVADFKGPOFS-UHFFFAOYSA-N
XLogP5.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.38
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide (CID 10164714) is N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NC1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is DAWGVADFKGPOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2F3N2O2S/c24-18-8-4-15(5-9-18)22(16-6-10-19(25)11-7-16)30-13-20(14-30)29-33(31,32)21-3-1-2-17(12-21)23(26,27)28/h1-12,20,22,29H,13-14H2.
What are the key properties of N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide?
N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 515.38 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 10164714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).