N-(4-chlorophenyl)sulfonylacetamide

C16H16Cl2N2O6S2 — CID 139084564

IUPACN-(4-chlorophenyl)sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(Cl)cc1.CC(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/2C8H8ClNO3S/c2*1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2*2-5H,1H3,(H,10,11)
InChIKeyJDVLKSPZMKZIDR-UHFFFAOYSA-N
MW467.35 g/mol
LogP2.33
Rot. Bonds4

About N-(4-chlorophenyl)sulfonylacetamide

N-(4-chlorophenyl)sulfonylacetamide (PubChem CID 139084564) has the molecular formula C16H16Cl2N2O6S2 and a molecular weight of 467.35 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonylacetamide
PubChem CID139084564
Molecular FormulaC16H16Cl2N2O6S2
Molecular Weight467.35 g/mol
Exact Mass465.98
IUPAC NameN-(4-chlorophenyl)sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(Cl)cc1.CC(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/2C8H8ClNO3S/c2*1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2*2-5H,1H3,(H,10,11)
InChIKeyJDVLKSPZMKZIDR-UHFFFAOYSA-N
XLogP2.33
TPSA126.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

bis([4-(acetylsulfamoyl)phenyl]azanide);dichloroplatinum(2+)
CID 6102185
N-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 25034802
N-[4-(acetylsulfamoyl)phenyl]-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enamide
CID 98085738
2-amino-N-(4-chlorophenyl)sulfonylacetamide
CID 23501070
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
N-[4-[(4-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylacetamide
CID 154848330
1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
CID 53343755
N-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)benzamide
CID 56655954
N-[4-(diethylsulfamoyl)phenyl]sulfonylacetamide
CID 154139337
(2R)-N-[4-(acetylsulfamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 2095948
potassium 4-chloro-N-methylbenzenesulfonamide
CID 21293199
1-(4-chlorophenyl)sulfonylethanone
CID 117037069

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonylacetamide?
The IUPAC name of N-(4-chlorophenyl)sulfonylacetamide (CID 139084564) is N-(4-chlorophenyl)sulfonylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonylacetamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(Cl)cc1.CC(=O)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)sulfonylacetamide?
The InChIKey is JDVLKSPZMKZIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8ClNO3S/c2*1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2*2-5H,1H3,(H,10,11).
What are the key properties of N-(4-chlorophenyl)sulfonylacetamide?
N-(4-chlorophenyl)sulfonylacetamide has a molecular weight of 467.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonylacetamide is sourced from PubChem (CID 139084564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).