N-benzyl-2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetamide

C21H18Cl2N2O3S — CID 126035646

IUPACN-benzyl-2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetamide
SMILESO=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1
InChIInChI=1S/C21H18Cl2N2O3S/c22-17-9-11-20(12-10-17)29(27,28)25(19-8-4-7-18(23)13-19)15-21(26)24-14-16-5-2-1-3-6-16/h1-13H,14-15H2,(H,24,26)
InChIKeyZXHMYIAHKLJXPG-UHFFFAOYSA-N
MW449.36 g/mol
LogP4.51
Rot. Bonds7

About N-benzyl-2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetamide

N-benzyl-2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetamide (PubChem CID 126035646) has the molecular formula C21H18Cl2N2O3S and a molecular weight of 449.36 g/mol. Its IUPAC name is N-benzyl-2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetamide
PubChem CID126035646
Molecular FormulaC21H18Cl2N2O3S
Molecular Weight449.36 g/mol
Exact Mass448.04
IUPAC NameN-benzyl-2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetamide
SMILESO=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1
InChIInChI=1S/C21H18Cl2N2O3S/c22-17-9-11-20(12-10-17)29(27,28)25(19-8-4-7-18(23)13-19)15-21(26)24-14-16-5-2-1-3-6-16/h1-13H,14-15H2,(H,24,26)
InChIKeyZXHMYIAHKLJXPG-UHFFFAOYSA-N
XLogP4.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.36
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 26565908
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 51343291
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-phenylethyl)acetamide
CID 3138284
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767015
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 51345003
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 43897588
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 92686228
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 126033598
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 2873656
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 43892221
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(furan-2-ylmethyl)acetamide
CID 1337777
N-benzyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 4240741

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetamide?
The IUPAC name of N-benzyl-2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetamide (CID 126035646) is N-benzyl-2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-benzyl-2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-benzyl-2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetamide is O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetamide?
The InChIKey is ZXHMYIAHKLJXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O3S/c22-17-9-11-20(12-10-17)29(27,28)25(19-8-4-7-18(23)13-19)15-21(26)24-14-16-5-2-1-3-6-16/h1-13H,14-15H2,(H,24,26).
What are the key properties of N-benzyl-2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetamide?
N-benzyl-2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetamide has a molecular weight of 449.36 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 126035646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).