N-(2,3-dichlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide

C21H17Cl2FN2O4S — CID 3255952

IUPACN-(2,3-dichlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C21H17Cl2FN2O4S/c1-30-19-8-3-2-5-13(19)12-25-31(28,29)14-9-10-17(24)15(11-14)21(27)26-18-7-4-6-16(22)20(18)23/h2-11,25H,12H2,1H3,(H,26,27)
InChIKeyTVKLDMIIOQITKC-UHFFFAOYSA-N
MW483.35 g/mol
LogP4.87
Rot. Bonds7

About N-(2,3-dichlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide

N-(2,3-dichlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide (PubChem CID 3255952) has the molecular formula C21H17Cl2FN2O4S and a molecular weight of 483.35 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
PubChem CID3255952
Molecular FormulaC21H17Cl2FN2O4S
Molecular Weight483.35 g/mol
Exact Mass482.03
IUPAC NameN-(2,3-dichlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C21H17Cl2FN2O4S/c1-30-19-8-3-2-5-13(19)12-25-31(28,29)14-9-10-17(24)15(11-14)21(27)26-18-7-4-6-16(22)20(18)23/h2-11,25H,12H2,1H3,(H,26,27)
InChIKeyTVKLDMIIOQITKC-UHFFFAOYSA-N
XLogP4.87
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.35
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 4085580
2-fluoro-N-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 4096626
5-[(2-chlorophenyl)methylsulfamoyl]-N-(2,3-dimethylphenyl)-2-fluorobenzamide
CID 5142552
2-fluoro-N-(3-fluoro-4-methylphenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 4524450
N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]benzamide
CID 4079781
4-fluoro-N-[2-fluoro-4-[(2-methoxyphenyl)methylsulfamoyl]phenyl]benzamide
CID 18893514
2-fluoro-N-(2-methoxyphenyl)-5-(2-phenylethylsulfamoyl)benzamide
CID 5070664
3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 26948553
2,4-dichloro-N-[4-[(2-chlorophenyl)methylsulfamoyl]-2-fluorophenyl]benzamide
CID 18893079
2-chloro-N-[2-fluoro-4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 18892974
3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 3299523
5-[(2-chlorophenyl)methylsulfamoyl]-2-methoxybenzamide
CID 34029898

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide (CID 3255952) is N-(2,3-dichlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide is COc1ccccc1CNS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(Cl)c2Cl)c1.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide?
The InChIKey is TVKLDMIIOQITKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2FN2O4S/c1-30-19-8-3-2-5-13(19)12-25-31(28,29)14-9-10-17(24)15(11-14)21(27)26-18-7-4-6-16(22)20(18)23/h2-11,25H,12H2,1H3,(H,26,27).
What are the key properties of N-(2,3-dichlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide?
N-(2,3-dichlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide has a molecular weight of 483.35 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide is sourced from PubChem (CID 3255952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).