N-(3,5-dichlorophenyl)-3,4-difluorobenzenesulfonamide

C12H7Cl2F2NO2S — CID 3702957

IUPACN-(3,5-dichlorophenyl)-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H7Cl2F2NO2S/c13-7-3-8(14)5-9(4-7)17-20(18,19)10-1-2-11(15)12(16)6-10/h1-6,17H
InChIKeyXSYKRJFLZYZRKN-UHFFFAOYSA-N
MW338.16 g/mol
LogP4.07
Rot. Bonds3

About N-(3,5-dichlorophenyl)-3,4-difluorobenzenesulfonamide

N-(3,5-dichlorophenyl)-3,4-difluorobenzenesulfonamide (PubChem CID 3702957) has the molecular formula C12H7Cl2F2NO2S and a molecular weight of 338.16 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-3,4-difluorobenzenesulfonamide
PubChem CID3702957
Molecular FormulaC12H7Cl2F2NO2S
Molecular Weight338.16 g/mol
Exact Mass336.95
IUPAC NameN-(3,5-dichlorophenyl)-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H7Cl2F2NO2S/c13-7-3-8(14)5-9(4-7)17-20(18,19)10-1-2-11(15)12(16)6-10/h1-6,17H
InChIKeyXSYKRJFLZYZRKN-UHFFFAOYSA-N
XLogP4.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 3742158
N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8501061
4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide
CID 5241140
N-(4-chloro-3-hydroxyphenyl)-3,4-difluorobenzenesulfonamide
CID 64788086
3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43403537
N-[4-[(3,5-dichlorophenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide
CID 18893289
N-(2-amino-5-chlorophenyl)-3,4-difluorobenzenesulfonamide
CID 43343902
N-(3-chlorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]-4-hydroxybenzenesulfonamide
CID 26970738
N-[4-(difluoromethoxy)phenyl]-3,4-difluorobenzenesulfonamide
CID 8504738
N-(3,5-dichlorophenyl)-4-(methanesulfonamido)benzenesulfonamide
CID 1290637
N-(3-aminophenyl)-3,4-difluorobenzenesulfonamide
CID 43167024

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-(3,5-dichlorophenyl)-3,4-difluorobenzenesulfonamide (CID 3702957) is N-(3,5-dichlorophenyl)-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-3,4-difluorobenzenesulfonamide is O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-3,4-difluorobenzenesulfonamide?
The InChIKey is XSYKRJFLZYZRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F2NO2S/c13-7-3-8(14)5-9(4-7)17-20(18,19)10-1-2-11(15)12(16)6-10/h1-6,17H.
What are the key properties of N-(3,5-dichlorophenyl)-3,4-difluorobenzenesulfonamide?
N-(3,5-dichlorophenyl)-3,4-difluorobenzenesulfonamide has a molecular weight of 338.16 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 3702957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).