2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3,4-dimethylphenyl)acetamide

C17H18Cl2N2O3S — CID 17027740

IUPAC2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1C
InChIInChI=1S/C17H18Cl2N2O3S/c1-11-4-6-14(8-12(11)2)20-17(22)10-21(3)25(23,24)16-9-13(18)5-7-15(16)19/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyQBEUYFOHUXUQJK-UHFFFAOYSA-N
MW401.32 g/mol
LogP3.87
Rot. Bonds5

About 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3,4-dimethylphenyl)acetamide

2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 17027740) has the molecular formula C17H18Cl2N2O3S and a molecular weight of 401.32 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3,4-dimethylphenyl)acetamide
PubChem CID17027740
Molecular FormulaC17H18Cl2N2O3S
Molecular Weight401.32 g/mol
Exact Mass400.04
IUPAC Name2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1C
InChIInChI=1S/C17H18Cl2N2O3S/c1-11-4-6-14(8-12(11)2)20-17(22)10-21(3)25(23,24)16-9-13(18)5-7-15(16)19/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyQBEUYFOHUXUQJK-UHFFFAOYSA-N
XLogP3.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
CID 45374381
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2-methylphenyl)acetamide
CID 16583536
2-[(5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 46418498
2-[(5-chloro-2-cyanophenyl)sulfonyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 34035829
2-[(5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 34055922
N-(3,4-dimethylphenyl)-2-[ethylsulfonyl(methyl)amino]acetamide
CID 99818118
N-(4-chlorophenyl)-2-[(2,4-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 2545228
N-(3-chloro-4-methylphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464468
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 45373346
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 45374620
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 45373445
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
CID 24677998

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3,4-dimethylphenyl)acetamide (CID 17027740) is 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1C.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is QBEUYFOHUXUQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3S/c1-11-4-6-14(8-12(11)2)20-17(22)10-21(3)25(23,24)16-9-13(18)5-7-15(16)19/h4-9H,10H2,1-3H3,(H,20,22).
What are the key properties of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3,4-dimethylphenyl)acetamide?
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 401.32 g/mol, XLogP of 3.87, 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-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 17027740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).