N-(4-chlorophenyl)sulfonyl-5-(dimethylsulfamoyl)-2-fluorobenzamide

C15H14ClFN2O5S2 — CID 110166676

IUPACN-(4-chlorophenyl)sulfonyl-5-(dimethylsulfamoyl)-2-fluorobenzamide
SMILESCN(C)S(=O)(=O)c1ccc(F)c(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H14ClFN2O5S2/c1-19(2)26(23,24)12-7-8-14(17)13(9-12)15(20)18-25(21,22)11-5-3-10(16)4-6-11/h3-9H,1-2H3,(H,18,20)
InChIKeyXAISWLHMCACNIO-UHFFFAOYSA-N
MW420.87 g/mol
LogP1.85
Rot. Bonds5

About N-(4-chlorophenyl)sulfonyl-5-(dimethylsulfamoyl)-2-fluorobenzamide

N-(4-chlorophenyl)sulfonyl-5-(dimethylsulfamoyl)-2-fluorobenzamide (PubChem CID 110166676) has the molecular formula C15H14ClFN2O5S2 and a molecular weight of 420.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-5-(dimethylsulfamoyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-5-(dimethylsulfamoyl)-2-fluorobenzamide
PubChem CID110166676
Molecular FormulaC15H14ClFN2O5S2
Molecular Weight420.87 g/mol
Exact Mass420.00
IUPAC NameN-(4-chlorophenyl)sulfonyl-5-(dimethylsulfamoyl)-2-fluorobenzamide
SMILESCN(C)S(=O)(=O)c1ccc(F)c(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H14ClFN2O5S2/c1-19(2)26(23,24)12-7-8-14(17)13(9-12)15(20)18-25(21,22)11-5-3-10(16)4-6-11/h3-9H,1-2H3,(H,18,20)
InChIKeyXAISWLHMCACNIO-UHFFFAOYSA-N
XLogP1.85
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.87
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[3-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide
CID 9077073
N-(4-chlorophenyl)-5-(dimethylsulfamoyl)-2-iodobenzamide
CID 55771427
3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide
CID 697776
5-(dimethylsulfamoyl)-N-(2-ethylphenyl)-2-fluorobenzamide
CID 8839430
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976204
5-bromo-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide
CID 30969614
4-chloro-3-[4-(5-chloro-2-fluorobenzoyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 46478927
N-[5-chloro-2-(dimethylamino)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 55336223
N-[[4-(diethylaminomethyl)phenyl]methyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide
CID 8948233
2-chloro-5-(dimethylsulfamoyl)benzoic acid
CID 2324784
N-[2-(butylamino)-5-(dimethylsulfamoyl)phenyl]-5-chloro-2-fluorobenzamide
CID 25335972
2-oxopropyl 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976393

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-5-(dimethylsulfamoyl)-2-fluorobenzamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-5-(dimethylsulfamoyl)-2-fluorobenzamide (CID 110166676) is N-(4-chlorophenyl)sulfonyl-5-(dimethylsulfamoyl)-2-fluorobenzamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-5-(dimethylsulfamoyl)-2-fluorobenzamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-5-(dimethylsulfamoyl)-2-fluorobenzamide is CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-5-(dimethylsulfamoyl)-2-fluorobenzamide?
The InChIKey is XAISWLHMCACNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O5S2/c1-19(2)26(23,24)12-7-8-14(17)13(9-12)15(20)18-25(21,22)11-5-3-10(16)4-6-11/h3-9H,1-2H3,(H,18,20).
What are the key properties of N-(4-chlorophenyl)sulfonyl-5-(dimethylsulfamoyl)-2-fluorobenzamide?
N-(4-chlorophenyl)sulfonyl-5-(dimethylsulfamoyl)-2-fluorobenzamide has a molecular weight of 420.87 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-5-(dimethylsulfamoyl)-2-fluorobenzamide is sourced from PubChem (CID 110166676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).