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

C22H19Cl2FN2O2S — CID 10183349

IUPACN-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)c1cccc(F)c1
InChIInChI=1S/C22H19Cl2FN2O2S/c23-17-8-4-15(5-9-17)22(16-6-10-18(24)11-7-16)27-13-20(14-27)26-30(28,29)21-3-1-2-19(25)12-21/h1-12,20,22,26H,13-14H2
InChIKeyXLZMDZREYBJKQZ-UHFFFAOYSA-N
MW465.38 g/mol
LogP4.88
Rot. Bonds6

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

N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-3-fluorobenzenesulfonamide (PubChem CID 10183349) has the molecular formula C22H19Cl2FN2O2S and a molecular weight of 465.38 g/mol. Its IUPAC name is N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-3-fluorobenzenesulfonamide
PubChem CID10183349
Molecular FormulaC22H19Cl2FN2O2S
Molecular Weight465.38 g/mol
Exact Mass464.05
IUPAC NameN-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)c1cccc(F)c1
InChIInChI=1S/C22H19Cl2FN2O2S/c23-17-8-4-15(5-9-17)22(16-6-10-18(24)11-7-16)27-13-20(14-27)26-30(28,29)21-3-1-2-19(25)12-21/h1-12,20,22,26H,13-14H2
InChIKeyXLZMDZREYBJKQZ-UHFFFAOYSA-N
XLogP4.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.38
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N4-Benzyl-N1-[(4-chlorophenyl)methyl]-N1-cyclopentylbenzene-1,4-disulfonamide
CID 1176971
N-[2-(azepan-1-yl)-2-phenylethyl]-3-chlorobenzenesulfonamide
CID 49862578
N-[2-(azepan-1-yl)-2-phenylethyl]-3,5-dichlorobenzenesulfonamide
CID 49862626
N-[2-(azepan-1-yl)-2-phenylethyl]-3-chloro-4-fluorobenzenesulfonamide
CID 49862628
1-(Bis(4-chlorophenyl)methyl)-3-((3,5-difluorophenyl)(methylsulfonyl)methylene)azetidine
CID 9810861
4-chloro-N-[2-phenyl-2-(piperidin-1-yl)ethyl]benzene-1-sulfonamide
CID 3116171
4-chloro-N-[2-phenyl-2-(1-piperazinyl)ethyl]benzenesulfonamide
CID 2831759
4-chloro-N-[2-(diethylamino)-2-phenylethyl]benzenesulfonamide
CID 2948598
N-[2-(Azepan-1-YL)-2-phenylethyl]-4-chlorobenzene-1-sulfonamide
CID 23604915
4-Chloro-N-[2-(4-methylpiperidin-1-YL)-2-phenylethyl]benzene-1-sulfonamide
CID 23604916
Azetidine derivative 1
CID 11167515
N-[1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-yl]-4-fluorobenzenesulfonamide
CID 72803415

Frequently Asked Questions

What is the IUPAC name of N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-3-fluorobenzenesulfonamide (CID 10183349) is N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-3-fluorobenzenesulfonamide is O=S(=O)(NC1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)c1cccc(F)c1.
What is the InChIKey of N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-3-fluorobenzenesulfonamide?
The InChIKey is XLZMDZREYBJKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2FN2O2S/c23-17-8-4-15(5-9-17)22(16-6-10-18(24)11-7-16)27-13-20(14-27)26-30(28,29)21-3-1-2-19(25)12-21/h1-12,20,22,26H,13-14H2.
What are the key properties of N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-3-fluorobenzenesulfonamide?
N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-3-fluorobenzenesulfonamide has a molecular weight of 465.38 g/mol, XLogP of 4.88, 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-fluorobenzenesulfonamide is sourced from PubChem (CID 10183349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).