N-(4-chloro-2-fluorophenyl)-4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzamide

C19H12Cl2F2N2O3S — CID 26696432

IUPACN-(4-chloro-2-fluorophenyl)-4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C19H12Cl2F2N2O3S/c20-12-3-8-18(17(23)9-12)24-19(26)11-1-4-13(5-2-11)25-29(27,28)14-6-7-16(22)15(21)10-14/h1-10,25H,(H,24,26)
InChIKeyMVFNCSDVTCCKNO-UHFFFAOYSA-N
MW457.29 g/mol
LogP5.32
Rot. Bonds5

About N-(4-chloro-2-fluorophenyl)-4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzamide

N-(4-chloro-2-fluorophenyl)-4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzamide (PubChem CID 26696432) has the molecular formula C19H12Cl2F2N2O3S and a molecular weight of 457.29 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzamide
PubChem CID26696432
Molecular FormulaC19H12Cl2F2N2O3S
Molecular Weight457.29 g/mol
Exact Mass455.99
IUPAC NameN-(4-chloro-2-fluorophenyl)-4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C19H12Cl2F2N2O3S/c20-12-3-8-18(17(23)9-12)24-19(26)11-1-4-13(5-2-11)25-29(27,28)14-6-7-16(22)15(21)10-14/h1-10,25H,(H,24,26)
InChIKeyMVFNCSDVTCCKNO-UHFFFAOYSA-N
XLogP5.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.29
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 43000828
N-[4-[(4-carbamoylphenyl)sulfamoyl]-2-fluorophenyl]-2,4-dichlorobenzamide
CID 18893156
4-chloro-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide
CID 18892646
2-chloro-5-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide
CID 55990230
3-chloro-N-[4-[(3,4-dichlorophenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892799
4-chloro-N-[4-[(2,6-difluorophenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892640
3-chloro-N-[2-fluoro-4-[(4-propan-2-ylphenyl)sulfamoyl]phenyl]benzamide
CID 18892779
N-[4-[(4-carbamoylphenyl)sulfamoyl]-2-fluorophenyl]-2-chlorobenzamide
CID 18892993
N-(2,4-difluorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7553514
2,4-dichloro-N-[2-fluoro-4-[(4-propan-2-ylphenyl)sulfamoyl]phenyl]benzamide
CID 18893105
N-(4-chloro-2-fluorophenyl)-4-(ethylsulfamoyl)benzamide
CID 9211461
4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892610

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzamide (CID 26696432) is N-(4-chloro-2-fluorophenyl)-4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzamide is O=C(Nc1ccc(Cl)cc1F)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzamide?
The InChIKey is MVFNCSDVTCCKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2F2N2O3S/c20-12-3-8-18(17(23)9-12)24-19(26)11-1-4-13(5-2-11)25-29(27,28)14-6-7-16(22)15(21)10-14/h1-10,25H,(H,24,26).
What are the key properties of N-(4-chloro-2-fluorophenyl)-4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzamide?
N-(4-chloro-2-fluorophenyl)-4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzamide has a molecular weight of 457.29 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 26696432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).