N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide

C21H18Cl2N2O3S — CID 100788537

IUPACN-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide
SMILESCN(c1ccc(CC(=O)Nc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H18Cl2N2O3S/c1-25(29(27,28)20-12-6-17(23)7-13-20)19-10-2-15(3-11-19)14-21(26)24-18-8-4-16(22)5-9-18/h2-13H,14H2,1H3,(H,24,26)
InChIKeyGTNAHZFHBKWGQH-UHFFFAOYSA-N
MW449.36 g/mol
LogP5.00
Rot. Bonds6

About N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide

N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide (PubChem CID 100788537) has the molecular formula C21H18Cl2N2O3S and a molecular weight of 449.36 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide
PubChem CID100788537
Molecular FormulaC21H18Cl2N2O3S
Molecular Weight449.36 g/mol
Exact Mass448.04
IUPAC NameN-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide
SMILESCN(c1ccc(CC(=O)Nc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H18Cl2N2O3S/c1-25(29(27,28)20-12-6-17(23)7-13-20)19-10-2-15(3-11-19)14-21(26)24-18-8-4-16(22)5-9-18/h2-13H,14H2,1H3,(H,24,26)
InChIKeyGTNAHZFHBKWGQH-UHFFFAOYSA-N
XLogP5.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.36
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100788011
N-(4-chloro-2-methylphenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide
CID 100788554
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-methylphenyl)acetamide
CID 100787567
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-propan-2-ylphenyl)acetamide
CID 100787598
2-[4-[[2-[4-[benzenesulfonyl(methyl)amino]phenyl]acetyl]amino]phenyl]acetamide
CID 100787401
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-chlorophenyl)acetamide
CID 17311776
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-pentan-2-ylacetamide
CID 133178296
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]acetamide
CID 100787371
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100787928
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 133260963
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(furan-2-ylmethyl)acetamide
CID 100788465
N-[4-[butyl(methyl)amino]phenyl]-2-(4-chlorophenyl)acetamide
CID 112985317

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide (CID 100788537) is N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide is CN(c1ccc(CC(=O)Nc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide?
The InChIKey is GTNAHZFHBKWGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O3S/c1-25(29(27,28)20-12-6-17(23)7-13-20)19-10-2-15(3-11-19)14-21(26)24-18-8-4-16(22)5-9-18/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide?
N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide has a molecular weight of 449.36 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide is sourced from PubChem (CID 100788537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).