2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]-N-(2-methylphenyl)acetamide

C21H18Cl2N2O3S — CID 25335507

IUPAC2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C21H18Cl2N2O3S/c1-14-5-2-3-8-19(14)24-20(26)13-15-9-11-16(12-10-15)25-29(27,28)21-17(22)6-4-7-18(21)23/h2-12,25H,13H2,1H3,(H,24,26)
InChIKeyIPGHBKKMUSGAHC-UHFFFAOYSA-N
MW449.36 g/mol
LogP5.28
Rot. Bonds6

About 2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]-N-(2-methylphenyl)acetamide

2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]-N-(2-methylphenyl)acetamide (PubChem CID 25335507) has the molecular formula C21H18Cl2N2O3S and a molecular weight of 449.36 g/mol. Its IUPAC name is 2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]-N-(2-methylphenyl)acetamide
PubChem CID25335507
Molecular FormulaC21H18Cl2N2O3S
Molecular Weight449.36 g/mol
Exact Mass448.04
IUPAC Name2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C21H18Cl2N2O3S/c1-14-5-2-3-8-19(14)24-20(26)13-15-9-11-16(12-10-15)25-29(27,28)21-17(22)6-4-7-18(21)23/h2-12,25H,13H2,1H3,(H,24,26)
InChIKeyIPGHBKKMUSGAHC-UHFFFAOYSA-N
XLogP5.28
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.36
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetate
CID 7042035
2-[4-(ethylsulfamoyl)phenyl]-N-(2-methylphenyl)acetamide
CID 75506253
2-(3,4-dichlorophenyl)-N-(2-methylphenyl)acetamide
CID 2599145
N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-phenylacetamide
CID 22306588
N-(5-chloro-2-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 29411176
2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)acetyl]amino]phenyl]acetamide
CID 26164464
N-(3-chloro-2-fluorophenyl)-2-(2-methylphenyl)acetamide
CID 30929902
N-(3-chloro-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838854
cis-(1R,2S)-N-[2-[4-[(2,6-dichlorophenyl)sulfonylamino]anilino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 30893685
2,6-dichloro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide
CID 53352077
2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]acetate
CID 7042231
N-(2,3-dichlorophenyl)-2-(4-propan-2-ylphenyl)acetamide
CID 41362554

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]-N-(2-methylphenyl)acetamide (CID 25335507) is 2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]-N-(2-methylphenyl)acetamide?
The InChIKey is IPGHBKKMUSGAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O3S/c1-14-5-2-3-8-19(14)24-20(26)13-15-9-11-16(12-10-15)25-29(27,28)21-17(22)6-4-7-18(21)23/h2-12,25H,13H2,1H3,(H,24,26).
What are the key properties of 2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]-N-(2-methylphenyl)acetamide?
2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]-N-(2-methylphenyl)acetamide has a molecular weight of 449.36 g/mol, XLogP of 5.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 25335507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).