N-benzyl-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-methylacetamide

C23H21Cl3N2O3S — CID 126067649

IUPACN-benzyl-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H21Cl3N2O3S/c1-27(14-17-6-3-2-4-7-17)23(29)16-28(15-20-21(25)8-5-9-22(20)26)32(30,31)19-12-10-18(24)11-13-19/h2-13H,14-16H2,1H3
InChIKeyYSXMANWTVTZVDW-UHFFFAOYSA-N
MW511.86 g/mol
LogP5.50
Rot. Bonds8

About N-benzyl-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-methylacetamide

N-benzyl-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-methylacetamide (PubChem CID 126067649) has the molecular formula C23H21Cl3N2O3S and a molecular weight of 511.86 g/mol. Its IUPAC name is N-benzyl-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-methylacetamide
PubChem CID126067649
Molecular FormulaC23H21Cl3N2O3S
Molecular Weight511.86 g/mol
Exact Mass510.03
IUPAC NameN-benzyl-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H21Cl3N2O3S/c1-27(14-17-6-3-2-4-7-17)23(29)16-28(15-20-21(25)8-5-9-22(20)26)32(30,31)19-12-10-18(24)11-13-19/h2-13H,14-16H2,1H3
InChIKeyYSXMANWTVTZVDW-UHFFFAOYSA-N
XLogP5.50
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.86
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-methylacetamide
CID 1323789
N-benzyl-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 1329406
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100790386
2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 100792827
2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N,N-diethylacetamide
CID 126011436
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 92675301
N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide
CID 126062385
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-ethoxyacetamide
CID 18168976
2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100797664
N-benzyl-2-(4-chloro-N-methylsulfonylanilino)-N-methylacetamide
CID 30168789
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid
CID 3926551
methyl 2-[[2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetyl]amino]benzoate
CID 126061698

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-methylacetamide (CID 126067649) is N-benzyl-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-methylacetamide is CN(Cc1ccccc1)C(=O)CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-benzyl-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-methylacetamide?
The InChIKey is YSXMANWTVTZVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl3N2O3S/c1-27(14-17-6-3-2-4-7-17)23(29)16-28(15-20-21(25)8-5-9-22(20)26)32(30,31)19-12-10-18(24)11-13-19/h2-13H,14-16H2,1H3.
What are the key properties of N-benzyl-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-methylacetamide?
N-benzyl-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-methylacetamide has a molecular weight of 511.86 g/mol, XLogP of 5.50, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-methylacetamide is sourced from PubChem (CID 126067649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).