N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzenesulfonamide

C18H14ClFN2O4S2 — CID 26967322

IUPACN-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C18H14ClFN2O4S2/c19-13-3-1-5-16(11-13)22-27(23,24)17-9-7-15(8-10-17)21-28(25,26)18-6-2-4-14(20)12-18/h1-12,21-22H
InChIKeyTXFNRWXUHJQXMJ-UHFFFAOYSA-N
MW440.91 g/mol
LogP4.08
Rot. Bonds6

About N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzenesulfonamide

N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzenesulfonamide (PubChem CID 26967322) has the molecular formula C18H14ClFN2O4S2 and a molecular weight of 440.91 g/mol. Its IUPAC name is N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzenesulfonamide
PubChem CID26967322
Molecular FormulaC18H14ClFN2O4S2
Molecular Weight440.91 g/mol
Exact Mass440.01
IUPAC NameN-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C18H14ClFN2O4S2/c19-13-3-1-5-16(11-13)22-27(23,24)17-9-7-15(8-10-17)21-28(25,26)18-6-2-4-14(20)12-18/h1-12,21-22H
InChIKeyTXFNRWXUHJQXMJ-UHFFFAOYSA-N
XLogP4.08
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-4-iodobenzenesulfonamide
CID 3419372
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 4647141
3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
N-(3-chlorophenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 7553525
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-disulfonamide
CID 49186407
3-amino-N-(3-chlorophenyl)benzenesulfonamide
CID 3828479
2-chloro-5-[(3-fluorophenyl)sulfonylamino]benzoic acid
CID 51118457
3-(3,4-dichlorophenyl)sulfonyl-N-(3-fluorophenyl)benzenesulfonamide
CID 134089881
3-chloro-N-[4-(3,4-difluoroanilino)phenyl]benzenesulfonamide
CID 112990324
N-(4-bromo-3-fluorophenyl)-3-chlorobenzenesulfonamide
CID 65430879
N-(3-chlorophenyl)-3-fluoro-4-nitrobenzenesulfonamide
CID 82813222
N-(3-chlorophenyl)-4-nitrobenzenesulfonamide
CID 2302993

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzenesulfonamide (CID 26967322) is N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzenesulfonamide is O=S(=O)(Nc1cccc(Cl)c1)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1.
What is the InChIKey of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzenesulfonamide?
The InChIKey is TXFNRWXUHJQXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O4S2/c19-13-3-1-5-16(11-13)22-27(23,24)17-9-7-15(8-10-17)21-28(25,26)18-6-2-4-14(20)12-18/h1-12,21-22H.
What are the key properties of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzenesulfonamide?
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzenesulfonamide has a molecular weight of 440.91 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 26967322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).