2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide

C21H17Cl3N2O3S — CID 126010858

IUPAC2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide
SMILESO=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H17Cl3N2O3S/c22-16-8-6-15(7-9-16)13-26(30(28,29)20-4-2-1-3-5-20)14-21(27)25-19-11-17(23)10-18(24)12-19/h1-12H,13-14H2,(H,25,27)
InChIKeyOVWJXZCRDSJSGO-UHFFFAOYSA-N
MW483.80 g/mol
LogP5.48
Rot. Bonds7

About 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide

2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide (PubChem CID 126010858) has the molecular formula C21H17Cl3N2O3S and a molecular weight of 483.80 g/mol. Its IUPAC name is 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide
PubChem CID126010858
Molecular FormulaC21H17Cl3N2O3S
Molecular Weight483.80 g/mol
Exact Mass482.00
IUPAC Name2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide
SMILESO=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H17Cl3N2O3S/c22-16-8-6-15(7-9-16)13-26(30(28,29)20-4-2-1-3-5-20)14-21(27)25-19-11-17(23)10-18(24)12-19/h1-12H,13-14H2,(H,25,27)
InChIKeyOVWJXZCRDSJSGO-UHFFFAOYSA-N
XLogP5.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.80
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-ethylphenyl)acetamide
CID 22781566
methyl 4-[[2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetyl]amino]benzoate
CID 1021052
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(2-hydroxyethyl)acetamide
CID 2300342
2-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide
CID 42111340
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid
CID 3926551
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide
CID 126068186
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-pyridin-3-ylacetamide
CID 2521158
N-(3,5-dichlorophenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069194
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)acetamide
CID 126011905
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-phenylacetamide
CID 4228257
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 28544810
N-(3-acetamidophenyl)-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 30883186

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide (CID 126010858) is 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide is O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide?
The InChIKey is OVWJXZCRDSJSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl3N2O3S/c22-16-8-6-15(7-9-16)13-26(30(28,29)20-4-2-1-3-5-20)14-21(27)25-19-11-17(23)10-18(24)12-19/h1-12H,13-14H2,(H,25,27).
What are the key properties of 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide?
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide has a molecular weight of 483.80 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide is sourced from PubChem (CID 126010858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).