3-(3,4-dichlorophenyl)sulfonyl-N-(3-fluorophenyl)benzenesulfonamide

C18H12Cl2FNO4S2 — CID 134089881

IUPAC3-(3,4-dichlorophenyl)sulfonyl-N-(3-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(F)c1)c1cccc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H12Cl2FNO4S2/c19-17-8-7-15(11-18(17)20)27(23,24)14-5-2-6-16(10-14)28(25,26)22-13-4-1-3-12(21)9-13/h1-11,22H
InChIKeyZVXAOXNYTTUXFJ-UHFFFAOYSA-N
MW460.34 g/mol
LogP4.77
Rot. Bonds5

About 3-(3,4-dichlorophenyl)sulfonyl-N-(3-fluorophenyl)benzenesulfonamide

3-(3,4-dichlorophenyl)sulfonyl-N-(3-fluorophenyl)benzenesulfonamide (PubChem CID 134089881) has the molecular formula C18H12Cl2FNO4S2 and a molecular weight of 460.34 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)sulfonyl-N-(3-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)sulfonyl-N-(3-fluorophenyl)benzenesulfonamide
PubChem CID134089881
Molecular FormulaC18H12Cl2FNO4S2
Molecular Weight460.34 g/mol
Exact Mass458.96
IUPAC Name3-(3,4-dichlorophenyl)sulfonyl-N-(3-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(F)c1)c1cccc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H12Cl2FNO4S2/c19-17-8-7-15(11-18(17)20)27(23,24)14-5-2-6-16(10-14)28(25,26)22-13-4-1-3-12(21)9-13/h1-11,22H
InChIKeyZVXAOXNYTTUXFJ-UHFFFAOYSA-N
XLogP4.77
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.34
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dichlorophenyl)sulfonyl-N-(3-methylphenyl)benzenesulfonamide
CID 1101032
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-disulfonamide
CID 49186407
3-(3,4-dichlorophenyl)sulfonyl-N-(4-phenoxyphenyl)benzenesulfonamide
CID 25048378
3-(3,4-dichlorophenyl)sulfonyl-N-methylbenzenesulfonamide
CID 71590941
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzenesulfonamide
CID 26967322
6-amino-5-chloro-N-(3-fluorophenyl)pyridine-3-sulfonamide
CID 64608125
N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 711099
2-chloro-5-[(3-fluorophenyl)sulfonylamino]benzoic acid
CID 51118457
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid
CID 2234493
N-(3-fluorophenyl)-4-[4-(4-methylphenyl)sulfonylphenyl]benzenesulfonamide
CID 25037271
4-bromo-3-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 97161985

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)sulfonyl-N-(3-fluorophenyl)benzenesulfonamide?
The IUPAC name of 3-(3,4-dichlorophenyl)sulfonyl-N-(3-fluorophenyl)benzenesulfonamide (CID 134089881) is 3-(3,4-dichlorophenyl)sulfonyl-N-(3-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)sulfonyl-N-(3-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)sulfonyl-N-(3-fluorophenyl)benzenesulfonamide is O=S(=O)(Nc1cccc(F)c1)c1cccc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)sulfonyl-N-(3-fluorophenyl)benzenesulfonamide?
The InChIKey is ZVXAOXNYTTUXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2FNO4S2/c19-17-8-7-15(11-18(17)20)27(23,24)14-5-2-6-16(10-14)28(25,26)22-13-4-1-3-12(21)9-13/h1-11,22H.
What are the key properties of 3-(3,4-dichlorophenyl)sulfonyl-N-(3-fluorophenyl)benzenesulfonamide?
3-(3,4-dichlorophenyl)sulfonyl-N-(3-fluorophenyl)benzenesulfonamide has a molecular weight of 460.34 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)sulfonyl-N-(3-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 134089881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).