N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(diethylsulfamoyl)-2-fluorobenzamide

C21H21Cl2FN4O3S — CID 38996610

IUPACN-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(diethylsulfamoyl)-2-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C21H21Cl2FN4O3S/c1-3-27(4-2)32(30,31)14-8-9-19(24)15(12-14)21(29)26-20-10-11-25-28(20)13-16-17(22)6-5-7-18(16)23/h5-12H,3-4,13H2,1-2H3,(H,26,29)
InChIKeyHUAOIRBTHSDZTF-UHFFFAOYSA-N
MW499.40 g/mol
LogP4.66
Rot. Bonds8

About N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(diethylsulfamoyl)-2-fluorobenzamide

N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(diethylsulfamoyl)-2-fluorobenzamide (PubChem CID 38996610) has the molecular formula C21H21Cl2FN4O3S and a molecular weight of 499.40 g/mol. Its IUPAC name is N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(diethylsulfamoyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(diethylsulfamoyl)-2-fluorobenzamide
PubChem CID38996610
Molecular FormulaC21H21Cl2FN4O3S
Molecular Weight499.40 g/mol
Exact Mass498.07
IUPAC NameN-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(diethylsulfamoyl)-2-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C21H21Cl2FN4O3S/c1-3-27(4-2)32(30,31)14-8-9-19(24)15(12-14)21(29)26-20-10-11-25-28(20)13-16-17(22)6-5-7-18(16)23/h5-12H,3-4,13H2,1-2H3,(H,26,29)
InChIKeyHUAOIRBTHSDZTF-UHFFFAOYSA-N
XLogP4.66
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.40
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide
CID 24525231
5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide
CID 51158899
5-(diethylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide
CID 26102432
5-(diethylsulfamoyl)-2-fluoro-N-(2-iodophenyl)benzamide
CID 26087674
N-[5-chloro-2-(dimethylamino)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 55336223
5-(diethylsulfamoyl)-2-fluoro-N-(3-methoxyphenyl)benzamide
CID 26914540
5-(diethylsulfamoyl)-2-fluoro-N-(2,4,6-trimethylphenyl)benzamide
CID 26085905
5-(diethylsulfamoyl)-N-[3-(dimethylcarbamoyl)phenyl]-2-fluorobenzamide
CID 29331887
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methyl-5-methylsulfonylbenzamide
CID 16568046
2-chloro-N-[2-(2,6-dichlorophenyl)ethyl]-5-(diethylsulfamoyl)benzamide
CID 60566384
N-(2-butan-2-ylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 78778551
5-(diethylsulfamoyl)-2-fluoro-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 26218803

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(diethylsulfamoyl)-2-fluorobenzamide?
The IUPAC name of N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(diethylsulfamoyl)-2-fluorobenzamide (CID 38996610) is N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(diethylsulfamoyl)-2-fluorobenzamide.
What is the SMILES notation for N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(diethylsulfamoyl)-2-fluorobenzamide?
The canonical SMILES for N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(diethylsulfamoyl)-2-fluorobenzamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)c1.
What is the InChIKey of N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(diethylsulfamoyl)-2-fluorobenzamide?
The InChIKey is HUAOIRBTHSDZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2FN4O3S/c1-3-27(4-2)32(30,31)14-8-9-19(24)15(12-14)21(29)26-20-10-11-25-28(20)13-16-17(22)6-5-7-18(16)23/h5-12H,3-4,13H2,1-2H3,(H,26,29).
What are the key properties of N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(diethylsulfamoyl)-2-fluorobenzamide?
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(diethylsulfamoyl)-2-fluorobenzamide has a molecular weight of 499.40 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(diethylsulfamoyl)-2-fluorobenzamide is sourced from PubChem (CID 38996610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).