N-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide

C16H15ClN2O4S2 — CID 1327534

IUPACN-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2O4S2/c1-11(20)19-25(22,23)15-8-4-13(5-9-15)18-16(21)10-24-14-6-2-12(17)3-7-14/h2-9H,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyIIMKOUOKNHPZSZ-UHFFFAOYSA-N
MW398.89 g/mol
LogP2.90
Rot. Bonds6

About N-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide

N-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide (PubChem CID 1327534) has the molecular formula C16H15ClN2O4S2 and a molecular weight of 398.89 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide
PubChem CID1327534
Molecular FormulaC16H15ClN2O4S2
Molecular Weight398.89 g/mol
Exact Mass398.02
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2O4S2/c1-11(20)19-25(22,23)15-8-4-13(5-9-15)18-16(21)10-24-14-6-2-12(17)3-7-14/h2-9H,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyIIMKOUOKNHPZSZ-UHFFFAOYSA-N
XLogP2.90
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Monoacetyldapsone
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Sulfone, bis((4-chloroacetylamino)phenyl)
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N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
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N-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 1321236
N-(2-chloro-4-{[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]sulfonyl}phenyl)acetamide
CID 2810894
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CID 246667
N,N'-[(2-oxopropane-1,3-diyl)bis(sulfonylbenzene-4,1-diyl)]diacetamide
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N-(2-{[(4-chlorophenyl)sulfonyl]amino}phenyl)acetamide
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CID 1087191

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide (CID 1327534) is N-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide?
The InChIKey is IIMKOUOKNHPZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4S2/c1-11(20)19-25(22,23)15-8-4-13(5-9-15)18-16(21)10-24-14-6-2-12(17)3-7-14/h2-9H,10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide?
N-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide has a molecular weight of 398.89 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide is sourced from PubChem (CID 1327534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).