3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-4-fluorobenzenesulfonamide

C13H9Cl2F2NO2S — CID 3338012

IUPAC3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1Cl)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H9Cl2F2NO2S/c14-11-5-9(16)2-1-8(11)7-18-21(19,20)10-3-4-13(17)12(15)6-10/h1-6,18H,7H2
InChIKeyXXFOQJHWHGXNER-UHFFFAOYSA-N
MW352.19 g/mol
LogP3.75
Rot. Bonds4

About 3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-4-fluorobenzenesulfonamide

3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-4-fluorobenzenesulfonamide (PubChem CID 3338012) has the molecular formula C13H9Cl2F2NO2S and a molecular weight of 352.19 g/mol. Its IUPAC name is 3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-4-fluorobenzenesulfonamide
PubChem CID3338012
Molecular FormulaC13H9Cl2F2NO2S
Molecular Weight352.19 g/mol
Exact Mass350.97
IUPAC Name3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1Cl)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H9Cl2F2NO2S/c14-11-5-9(16)2-1-8(11)7-18-21(19,20)10-3-4-13(17)12(15)6-10/h1-6,18H,7H2
InChIKeyXXFOQJHWHGXNER-UHFFFAOYSA-N
XLogP3.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(2,5-difluorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 25047062
3-chloro-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3348028
N-[(2-chloro-4-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 3835603
3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-fluorobenzenesulfonamide
CID 3830698
N-[2-chloro-4-[(2-chloro-4-fluorophenyl)methylsulfamoyl]phenyl]acetamide
CID 25038184
N-[(2-chloro-4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 3829600
4-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide
CID 110780979
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724
3-chloro-N-[(2,3-dichlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3843570
3-chloro-N-[(2,4-difluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 110782247
3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 24581072
N-[(2,4-dichlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680727

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of 3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-4-fluorobenzenesulfonamide (CID 3338012) is 3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-4-fluorobenzenesulfonamide is O=S(=O)(NCc1ccc(F)cc1Cl)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-4-fluorobenzenesulfonamide?
The InChIKey is XXFOQJHWHGXNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F2NO2S/c14-11-5-9(16)2-1-8(11)7-18-21(19,20)10-3-4-13(17)12(15)6-10/h1-6,18H,7H2.
What are the key properties of 3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-4-fluorobenzenesulfonamide?
3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-4-fluorobenzenesulfonamide has a molecular weight of 352.19 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 3338012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).