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

C16H17ClN2O3S — CID 112992196

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H17ClN2O3S/c1-12-3-2-4-13(9-12)10-18-16(20)11-19-23(21,22)15-7-5-14(17)6-8-15/h2-9,19H,10-11H2,1H3,(H,18,20)
InChIKeyDLGQIEQMOJVSSE-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.24
Rot. Bonds6

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

2-[(4-chlorophenyl)sulfonylamino]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 112992196) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-[(3-methylphenyl)methyl]acetamide
PubChem CID112992196
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H17ClN2O3S/c1-12-3-2-4-13(9-12)10-18-16(20)11-19-23(21,22)15-7-5-14(17)6-8-15/h2-9,19H,10-11H2,1H3,(H,18,20)
InChIKeyDLGQIEQMOJVSSE-UHFFFAOYSA-N
XLogP2.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9209869
N-[(4-chlorophenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 108996725
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 112992700
N-[(3-methylphenyl)methyl]-2-(propylsulfonylamino)acetamide
CID 112992190
(3-methylphenyl)methyl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 9061287
2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 112992219
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954
2-(butylsulfonylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 112992191
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(3-methylphenyl)methyl]acetamide
CID 100790406
3-chloro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 38294554
2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dichlorophenyl)acetamide
CID 113001461
N-(3-chlorophenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9042351

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[(3-methylphenyl)methyl]acetamide (CID 112992196) is 2-[(4-chlorophenyl)sulfonylamino]-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CNC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is DLGQIEQMOJVSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-12-3-2-4-13(9-12)10-18-16(20)11-19-23(21,22)15-7-5-14(17)6-8-15/h2-9,19H,10-11H2,1H3,(H,18,20).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-[(3-methylphenyl)methyl]acetamide?
2-[(4-chlorophenyl)sulfonylamino]-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 352.84 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 112992196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).