N-benzyl-2-(4-chlorophenyl)sulfonylacetamide

C15H14ClNO3S — CID 7543995

IUPACN-benzyl-2-(4-chlorophenyl)sulfonylacetamide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1
InChIInChI=1S/C15H14ClNO3S/c16-13-6-8-14(9-7-13)21(19,20)11-15(18)17-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)
InChIKeyQLLOACKXILORKY-UHFFFAOYSA-N
MW323.80 g/mol
LogP2.43
Rot. Bonds5

About N-benzyl-2-(4-chlorophenyl)sulfonylacetamide

N-benzyl-2-(4-chlorophenyl)sulfonylacetamide (PubChem CID 7543995) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is N-benzyl-2-(4-chlorophenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-chlorophenyl)sulfonylacetamide
PubChem CID7543995
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC NameN-benzyl-2-(4-chlorophenyl)sulfonylacetamide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1
InChIInChI=1S/C15H14ClNO3S/c16-13-6-8-14(9-7-13)21(19,20)11-15(18)17-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)
InChIKeyQLLOACKXILORKY-UHFFFAOYSA-N
XLogP2.43
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(phenylthio)acetamide
CID 846429
2-benzylsulfonyl-N-[(2-chlorophenyl)methyl]acetamide
CID 2210190
N-benzyl-2-tosylacetamide
CID 6460081
2-(benzenesulfonyl)-N-benzylacetamide
CID 2991483
N-benzyl-3-(4-methylphenyl)sulfonylpropanamide
CID 759101
2-(4-Chlorophenyl)-N-(2-((4-chlorophenyl)sulfinyl)ethyl)acetamide
CID 1489579
N-(2-((4-Chlorophenyl)sulfinyl)ethyl)-2-phenylacetamide
CID 1489581
3-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide
CID 2265248
N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 2265253
2-(4-chlorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2531282
3-[(4-chlorophenyl)sulfonyl]-4-methyl-6-phenyl-2(1H)-pyridinone
CID 4351717
N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide
CID 4786870

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-chlorophenyl)sulfonylacetamide?
The IUPAC name of N-benzyl-2-(4-chlorophenyl)sulfonylacetamide (CID 7543995) is N-benzyl-2-(4-chlorophenyl)sulfonylacetamide.
What is the SMILES notation for N-benzyl-2-(4-chlorophenyl)sulfonylacetamide?
The canonical SMILES for N-benzyl-2-(4-chlorophenyl)sulfonylacetamide is O=C(CS(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(4-chlorophenyl)sulfonylacetamide?
The InChIKey is QLLOACKXILORKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c16-13-6-8-14(9-7-13)21(19,20)11-15(18)17-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18).
What are the key properties of N-benzyl-2-(4-chlorophenyl)sulfonylacetamide?
N-benzyl-2-(4-chlorophenyl)sulfonylacetamide has a molecular weight of 323.80 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-chlorophenyl)sulfonylacetamide is sourced from PubChem (CID 7543995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).