2-(2-chloro-6-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide

C21H18ClFN2O3S — CID 4876859

IUPAC2-(2-chloro-6-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C21H18ClFN2O3S/c1-25(16-8-3-2-4-9-16)29(27,28)17-10-5-7-15(13-17)24-21(26)14-18-19(22)11-6-12-20(18)23/h2-13H,14H2,1H3,(H,24,26)
InChIKeyIIEVKCAXAKQTLB-UHFFFAOYSA-N
MW432.90 g/mol
LogP4.49
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide (PubChem CID 4876859) has the molecular formula C21H18ClFN2O3S and a molecular weight of 432.90 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
PubChem CID4876859
Molecular FormulaC21H18ClFN2O3S
Molecular Weight432.90 g/mol
Exact Mass432.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C21H18ClFN2O3S/c1-25(16-8-3-2-4-9-16)29(27,28)17-10-5-7-15(13-17)24-21(26)14-18-19(22)11-6-12-20(18)23/h2-13H,14H2,1H3,(H,24,26)
InChIKeyIIEVKCAXAKQTLB-UHFFFAOYSA-N
XLogP4.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.90
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorobenzyl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1019165
2-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4571173
(E)-3-(2-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide
CID 2672927
4-chloro-N-(3-sulfamoylphenyl)benzamide
CID 3564294
2-(2-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 15945348
N-[3-(dimethylsulfamoyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 24671719
N-[4-[[benzyl(propyl)amino]methyl]-3-chlorophenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 141738516
N-[4-[[(2-chlorophenyl)methyl-propylamino]methyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 141738542
N-[4-(benzenesulfonamido)phenyl]-2-chlorobenzamide
CID 2311681
2-(4-chlorophenyl)-N-(4-sulfamoylphenyl)acetamide
CID 670087
2-chloro-4,5-difluoro-N-[4-(1-pyrrolidinylsulfonyl)phenyl]benzamide
CID 1253291
2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1362650

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide (CID 4876859) is 2-(2-chloro-6-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide is CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cc2c(F)cccc2Cl)c1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is IIEVKCAXAKQTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O3S/c1-25(16-8-3-2-4-9-16)29(27,28)17-10-5-7-15(13-17)24-21(26)14-18-19(22)11-6-12-20(18)23/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 432.90 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4876859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).