N-[4-[(3,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide

C21H18F2N2O5S — CID 18893309

IUPACN-[4-[(3,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)c(F)c2)cc1OC
InChIInChI=1S/C21H18F2N2O5S/c1-29-19-10-7-13(11-20(19)30-2)25-31(27,28)14-8-9-18(17(23)12-14)24-21(26)15-5-3-4-6-16(15)22/h3-12,25H,1-2H3,(H,24,26)
InChIKeyYDHKOPKDWARSRI-UHFFFAOYSA-N
MW448.45 g/mol
LogP4.04
Rot. Bonds7

About N-[4-[(3,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide

N-[4-[(3,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide (PubChem CID 18893309) has the molecular formula C21H18F2N2O5S and a molecular weight of 448.45 g/mol. Its IUPAC name is N-[4-[(3,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide
PubChem CID18893309
Molecular FormulaC21H18F2N2O5S
Molecular Weight448.45 g/mol
Exact Mass448.09
IUPAC NameN-[4-[(3,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)c(F)c2)cc1OC
InChIInChI=1S/C21H18F2N2O5S/c1-29-19-10-7-13(11-20(19)30-2)25-31(27,28)14-8-9-18(17(23)12-14)24-21(26)15-5-3-4-6-16(15)22/h3-12,25H,1-2H3,(H,24,26)
InChIKeyYDHKOPKDWARSRI-UHFFFAOYSA-N
XLogP4.04
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[2-fluoro-4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide
CID 18893279
2-fluoro-N-[2-fluoro-4-(phenylsulfamoyl)phenyl]benzamide
CID 18893255
2-fluoro-N-[2-fluoro-4-[(3-methylsulfanylphenyl)sulfamoyl]phenyl]benzamide
CID 18893315
N-[4-[(3,5-dichlorophenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide
CID 18893289
2-chloro-N-[2-fluoro-4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 18892974
2-chloro-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892982
N-[4-[(2,6-diethylphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide
CID 18893361
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-fluorobenzamide
CID 55349327
4-[(3,4-difluorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)benzamide
CID 27537974
N-[4-[(4-carbamoylphenyl)sulfamoyl]-2-fluorophenyl]-2-chlorobenzamide
CID 18892993
5-(ethylsulfamoyl)-N-(2-fluorophenyl)-2-methoxybenzamide
CID 19257860
2-[(3,4-difluorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide
CID 2374439

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-[(3,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide (CID 18893309) is N-[4-[(3,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-[(3,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-[(3,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)c(F)c2)cc1OC.
What is the InChIKey of N-[4-[(3,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide?
The InChIKey is YDHKOPKDWARSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O5S/c1-29-19-10-7-13(11-20(19)30-2)25-31(27,28)14-8-9-18(17(23)12-14)24-21(26)15-5-3-4-6-16(15)22/h3-12,25H,1-2H3,(H,24,26).
What are the key properties of N-[4-[(3,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide?
N-[4-[(3,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide has a molecular weight of 448.45 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide is sourced from PubChem (CID 18893309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).