2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2-methylphenyl)acetamide

C22H20Cl2N2O3S — CID 23737822

IUPAC2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H20Cl2N2O3S/c1-16-5-2-3-8-21(16)25-22(27)15-26(14-17-6-4-7-19(24)13-17)30(28,29)20-11-9-18(23)10-12-20/h2-13H,14-15H2,1H3,(H,25,27)
InChIKeyHNPNHBVFVFDULC-UHFFFAOYSA-N
MW463.39 g/mol
LogP5.13
Rot. Bonds7

About 2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2-methylphenyl)acetamide

2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2-methylphenyl)acetamide (PubChem CID 23737822) has the molecular formula C22H20Cl2N2O3S and a molecular weight of 463.39 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
PubChem CID23737822
Molecular FormulaC22H20Cl2N2O3S
Molecular Weight463.39 g/mol
Exact Mass462.06
IUPAC Name2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H20Cl2N2O3S/c1-16-5-2-3-8-21(16)25-22(27)15-26(14-17-6-4-7-19(24)13-17)30(28,29)20-11-9-18(23)10-12-20/h2-13H,14-15H2,1H3,(H,25,27)
InChIKeyHNPNHBVFVFDULC-UHFFFAOYSA-N
XLogP5.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.39
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 23824740
2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)acetamide
CID 126066964
N-(5-chloro-2-methylphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069224
N-(3-chloro-4-methylphenyl)-2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetamide
CID 126065992
2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)acetamide
CID 1119922
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,4-dichlorophenyl)acetamide
CID 126070281
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-chloro-2-methylphenyl)acetamide
CID 126065452
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)acetamide
CID 126069329
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)acetamide
CID 26796718
2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 126095141
ethyl 2-[4-[[2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetyl]amino]phenyl]acetate
CID 100793628
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 126010729

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2-methylphenyl)acetamide (CID 23737822) is 2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2-methylphenyl)acetamide?
The InChIKey is HNPNHBVFVFDULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O3S/c1-16-5-2-3-8-21(16)25-22(27)15-26(14-17-6-4-7-19(24)13-17)30(28,29)20-11-9-18(23)10-12-20/h2-13H,14-15H2,1H3,(H,25,27).
What are the key properties of 2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2-methylphenyl)acetamide?
2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2-methylphenyl)acetamide has a molecular weight of 463.39 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 23737822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).