N'-(benzenesulfonyl)-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-fluorobenzenecarboximidamide

C25H18Cl2FN3O4S2 — CID 3394950

IUPACN'-(benzenesulfonyl)-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-fluorobenzenecarboximidamide
SMILESO=S(=O)(N=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C25H18Cl2FN3O4S2/c26-21-8-4-5-9-23(21)30-37(34,35)24-16-19(14-15-22(24)27)29-25(17-10-12-18(28)13-11-17)31-36(32,33)20-6-2-1-3-7-20/h1-16,30H,(H,29,31)
InChIKeyFCFDMXGUPXFVOV-UHFFFAOYSA-N
MW578.47 g/mol
LogP6.18
Rot. Bonds7

About N'-(benzenesulfonyl)-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-fluorobenzenecarboximidamide

N'-(benzenesulfonyl)-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-fluorobenzenecarboximidamide (PubChem CID 3394950) has the molecular formula C25H18Cl2FN3O4S2 and a molecular weight of 578.47 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-fluorobenzenecarboximidamide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-fluorobenzenecarboximidamide
PubChem CID3394950
Molecular FormulaC25H18Cl2FN3O4S2
Molecular Weight578.47 g/mol
Exact Mass577.01
IUPAC NameN'-(benzenesulfonyl)-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-fluorobenzenecarboximidamide
SMILESO=S(=O)(N=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C25H18Cl2FN3O4S2/c26-21-8-4-5-9-23(21)30-37(34,35)24-16-19(14-15-22(24)27)29-25(17-10-12-18(28)13-11-17)31-36(32,33)20-6-2-1-3-7-20/h1-16,30H,(H,29,31)
InChIKeyFCFDMXGUPXFVOV-UHFFFAOYSA-N
XLogP6.18
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.47
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(benzenesulfonyl)-4-fluoro-N-phenylbenzenecarboximidamide
CID 2177177
N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide
CID 167764718
N-[4-(2-aminoacetyl)phenyl]-N'-(benzenesulfonyl)-4-fluorobenzenecarboximidamide
CID 170860750
N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 3395431
N-(2-chlorophenyl)-2,5-difluorobenzenesulfonamide
CID 9234601
4-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide
CID 5028391
N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9411412
N'-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide
CID 6195854
4-chloro-N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 30879902
2-[(2-chlorophenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 7941056
N'-(benzenesulfonyl)-N-(4-iodophenyl)benzenecarboximidamide
CID 4704503
N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 3319119

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-fluorobenzenecarboximidamide?
The IUPAC name of N'-(benzenesulfonyl)-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-fluorobenzenecarboximidamide (CID 3394950) is N'-(benzenesulfonyl)-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-fluorobenzenecarboximidamide.
What is the SMILES notation for N'-(benzenesulfonyl)-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-fluorobenzenecarboximidamide?
The canonical SMILES for N'-(benzenesulfonyl)-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-fluorobenzenecarboximidamide is O=S(=O)(N=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N'-(benzenesulfonyl)-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-fluorobenzenecarboximidamide?
The InChIKey is FCFDMXGUPXFVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2FN3O4S2/c26-21-8-4-5-9-23(21)30-37(34,35)24-16-19(14-15-22(24)27)29-25(17-10-12-18(28)13-11-17)31-36(32,33)20-6-2-1-3-7-20/h1-16,30H,(H,29,31).
What are the key properties of N'-(benzenesulfonyl)-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-fluorobenzenecarboximidamide?
N'-(benzenesulfonyl)-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-fluorobenzenecarboximidamide has a molecular weight of 578.47 g/mol, XLogP of 6.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-fluorobenzenecarboximidamide is sourced from PubChem (CID 3394950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).