2,4-dichloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide

C21H17Cl2FN2O5S — CID 18893144

IUPAC2,4-dichloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)c(OC)c1
InChIInChI=1S/C21H17Cl2FN2O5S/c1-30-13-4-7-19(20(10-13)31-2)26-32(28,29)14-5-8-18(17(24)11-14)25-21(27)15-6-3-12(22)9-16(15)23/h3-11,26H,1-2H3,(H,25,27)
InChIKeyLSPFFUPYLLCVST-UHFFFAOYSA-N
MW499.35 g/mol
LogP5.20
Rot. Bonds7

About 2,4-dichloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide

2,4-dichloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide (PubChem CID 18893144) has the molecular formula C21H17Cl2FN2O5S and a molecular weight of 499.35 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide
PubChem CID18893144
Molecular FormulaC21H17Cl2FN2O5S
Molecular Weight499.35 g/mol
Exact Mass498.02
IUPAC Name2,4-dichloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)c(OC)c1
InChIInChI=1S/C21H17Cl2FN2O5S/c1-30-13-4-7-19(20(10-13)31-2)26-32(28,29)14-5-8-18(17(24)11-14)25-21(27)15-6-3-12(22)9-16(15)23/h3-11,26H,1-2H3,(H,25,27)
InChIKeyLSPFFUPYLLCVST-UHFFFAOYSA-N
XLogP5.20
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.35
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892982
2,4-dichloro-N-[2-fluoro-4-[(2,4,5-trichlorophenyl)sulfamoyl]phenyl]benzamide
CID 18893127
2-chloro-N-[2-fluoro-4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 18892974
2-[(3,4-difluorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide
CID 2374439
2,4-dichloro-N-[4-[(3,5-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18893102
2,4-dichloro-N-[2-fluoro-4-(2-methoxyethylsulfamoyl)phenyl]benzamide
CID 18893075
2,4-dichloro-N-[4-[(3-chlorophenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18893111
2,4-dichloro-N-[2-fluoro-4-[(4-propan-2-ylphenyl)sulfamoyl]phenyl]benzamide
CID 18893105
4-(benzenesulfonamido)-2-chloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43885917
N-[4-[(4-carbamoylphenyl)sulfamoyl]-2-fluorophenyl]-2,4-dichlorobenzamide
CID 18893156
5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide
CID 110759387
2,4-dichloro-N-(2,4-dimethoxyphenyl)-5-fluorobenzamide
CID 9192573

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide (CID 18893144) is 2,4-dichloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)c(OC)c1.
What is the InChIKey of 2,4-dichloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide?
The InChIKey is LSPFFUPYLLCVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2FN2O5S/c1-30-13-4-7-19(20(10-13)31-2)26-32(28,29)14-5-8-18(17(24)11-14)25-21(27)15-6-3-12(22)9-16(15)23/h3-11,26H,1-2H3,(H,25,27).
What are the key properties of 2,4-dichloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide?
2,4-dichloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide has a molecular weight of 499.35 g/mol, XLogP of 5.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide is sourced from PubChem (CID 18893144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).