2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2-methylphenyl)acetamide

C16H16Cl2N2O3S — CID 16583536

IUPAC2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H16Cl2N2O3S/c1-11-5-3-4-6-14(11)19-16(21)10-20(2)24(22,23)15-9-12(17)7-8-13(15)18/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyWNISFGUUFUGGSF-UHFFFAOYSA-N
MW387.29 g/mol
LogP3.56
Rot. Bonds5

About 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2-methylphenyl)acetamide

2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2-methylphenyl)acetamide (PubChem CID 16583536) has the molecular formula C16H16Cl2N2O3S and a molecular weight of 387.29 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2-methylphenyl)acetamide
PubChem CID16583536
Molecular FormulaC16H16Cl2N2O3S
Molecular Weight387.29 g/mol
Exact Mass386.03
IUPAC Name2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H16Cl2N2O3S/c1-11-5-3-4-6-14(11)19-16(21)10-20(2)24(22,23)15-9-12(17)7-8-13(15)18/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyWNISFGUUFUGGSF-UHFFFAOYSA-N
XLogP3.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2-methylphenyl)acetamide (CID 16583536) is 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2-methylphenyl)acetamide?
The InChIKey is WNISFGUUFUGGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S/c1-11-5-3-4-6-14(11)19-16(21)10-20(2)24(22,23)15-9-12(17)7-8-13(15)18/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2-methylphenyl)acetamide?
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2-methylphenyl)acetamide has a molecular weight of 387.29 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 16583536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).