2-[benzenesulfonyl(benzyl)amino]-N-[(2-chlorophenyl)methyl]acetamide

C22H21ClN2O3S — CID 2545354

IUPAC2-[benzenesulfonyl(benzyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccccc1Cl
InChIInChI=1S/C22H21ClN2O3S/c23-21-14-8-7-11-19(21)15-24-22(26)17-25(16-18-9-3-1-4-10-18)29(27,28)20-12-5-2-6-13-20/h1-14H,15-17H2,(H,24,26)
InChIKeyQAJFUMWUSCLPPW-UHFFFAOYSA-N
MW428.94 g/mol
LogP3.85
Rot. Bonds8

About 2-[benzenesulfonyl(benzyl)amino]-N-[(2-chlorophenyl)methyl]acetamide

2-[benzenesulfonyl(benzyl)amino]-N-[(2-chlorophenyl)methyl]acetamide (PubChem CID 2545354) has the molecular formula C22H21ClN2O3S and a molecular weight of 428.94 g/mol. Its IUPAC name is 2-[benzenesulfonyl(benzyl)amino]-N-[(2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(benzyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
PubChem CID2545354
Molecular FormulaC22H21ClN2O3S
Molecular Weight428.94 g/mol
Exact Mass428.10
IUPAC Name2-[benzenesulfonyl(benzyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccccc1Cl
InChIInChI=1S/C22H21ClN2O3S/c23-21-14-8-7-11-19(21)15-24-22(26)17-25(16-18-9-3-1-4-10-18)29(27,28)20-12-5-2-6-13-20/h1-14H,15-17H2,(H,24,26)
InChIKeyQAJFUMWUSCLPPW-UHFFFAOYSA-N
XLogP3.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1320309
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100793153
2-[benzenesulfonyl(benzyl)amino]-N-(2-phenylethyl)acetamide
CID 2681375
2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2460404
2-[benzenesulfonyl(benzyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 1141916
2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100793679
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4181243
2-[benzenesulfonyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 21380257
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(2-chlorophenyl)methyl]acetamide
CID 126129720
2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100793593
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(2-hydroxyethyl)acetamide
CID 2300342
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100792928

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-[(2-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-[(2-chlorophenyl)methyl]acetamide (CID 2545354) is 2-[benzenesulfonyl(benzyl)amino]-N-[(2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(benzyl)amino]-N-[(2-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(benzyl)amino]-N-[(2-chlorophenyl)methyl]acetamide is O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccccc1Cl.
What is the InChIKey of 2-[benzenesulfonyl(benzyl)amino]-N-[(2-chlorophenyl)methyl]acetamide?
The InChIKey is QAJFUMWUSCLPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3S/c23-21-14-8-7-11-19(21)15-24-22(26)17-25(16-18-9-3-1-4-10-18)29(27,28)20-12-5-2-6-13-20/h1-14H,15-17H2,(H,24,26).
What are the key properties of 2-[benzenesulfonyl(benzyl)amino]-N-[(2-chlorophenyl)methyl]acetamide?
2-[benzenesulfonyl(benzyl)amino]-N-[(2-chlorophenyl)methyl]acetamide has a molecular weight of 428.94 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(benzyl)amino]-N-[(2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 2545354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).