2-[(5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide

C16H17ClN2O3S — CID 46418498

IUPAC2-[(5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C16H17ClN2O3S/c1-12-8-9-13(17)10-15(12)23(21,22)19(2)11-16(20)18-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyBCGGHMNACZWPKA-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.91
Rot. Bonds5

About 2-[(5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide

2-[(5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide (PubChem CID 46418498) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 2-[(5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
PubChem CID46418498
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name2-[(5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C16H17ClN2O3S/c1-12-8-9-13(17)10-15(12)23(21,22)19(2)11-16(20)18-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyBCGGHMNACZWPKA-UHFFFAOYSA-N
XLogP2.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 34055922
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2709729
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3,4-dimethylphenyl)acetamide
CID 17027740
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2-methylphenyl)acetamide
CID 16583536
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 24653479
N-(4-chlorophenyl)-2-[(2,4-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 2545228
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 46508678
N-(4-acetamidophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 100781076
2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 55642351
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 1204030
N-(3-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]acetamide
CID 55680503
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide?
The IUPAC name of 2-[(5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide (CID 46418498) is 2-[(5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[(5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide?
The canonical SMILES for 2-[(5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide is Cc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[(5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide?
The InChIKey is BCGGHMNACZWPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-12-8-9-13(17)10-15(12)23(21,22)19(2)11-16(20)18-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of 2-[(5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide?
2-[(5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide has a molecular weight of 352.84 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide is sourced from PubChem (CID 46418498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).