1-[4-[(4-acetylphenyl)sulfamoylsulfamoylamino]phenyl]ethanone

C16H17N3O6S2 — CID 12781230

IUPAC1-[4-[(4-acetylphenyl)sulfamoylsulfamoylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(NS(=O)(=O)NS(=O)(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C16H17N3O6S2/c1-11(20)13-3-7-15(8-4-13)17-26(22,23)19-27(24,25)18-16-9-5-14(6-10-16)12(2)21/h3-10,17-19H,1-2H3
InChIKeyLBXFUTGDVGKZAR-UHFFFAOYSA-N
MW411.46 g/mol
LogP1.70
Rot. Bonds8

About 1-[4-[(4-acetylphenyl)sulfamoylsulfamoylamino]phenyl]ethanone

1-[4-[(4-acetylphenyl)sulfamoylsulfamoylamino]phenyl]ethanone (PubChem CID 12781230) has the molecular formula C16H17N3O6S2 and a molecular weight of 411.46 g/mol. Its IUPAC name is 1-[4-[(4-acetylphenyl)sulfamoylsulfamoylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-acetylphenyl)sulfamoylsulfamoylamino]phenyl]ethanone
PubChem CID12781230
Molecular FormulaC16H17N3O6S2
Molecular Weight411.46 g/mol
Exact Mass411.06
IUPAC Name1-[4-[(4-acetylphenyl)sulfamoylsulfamoylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(NS(=O)(=O)NS(=O)(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C16H17N3O6S2/c1-11(20)13-3-7-15(8-4-13)17-26(22,23)19-27(24,25)18-16-9-5-14(6-10-16)12(2)21/h3-10,17-19H,1-2H3
InChIKeyLBXFUTGDVGKZAR-UHFFFAOYSA-N
XLogP1.70
TPSA138.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl N-[(4-acetylphenyl)sulfamoyl]carbamate
CID 115872551
N-(4-acetylphenyl)ethanesulfonamide
CID 1219330
1-(4-acetylphenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875225
N-(4-acetylphenyl)-3,5-difluorobenzenesulfonamide
CID 51170160
1-[4-(chloroamino)phenyl]ethanone
CID 140987111
1-[4-(sulfanylamino)phenyl]ethanone
CID 143142211
1-(4-acetylphenyl)ethanone;methane
CID 159515104
N-(4-acetylphenyl)-5-fluorothiophene-2-sulfonamide
CID 91969494
N-(4-acetylphenyl)acetamide;fluoromethane
CID 160517938
N-(4-acetylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629409
N-(4-acetylphenyl)-2-cyanobenzenesulfonamide
CID 40655133
N-(4-acetylphenyl)ethanethioamide;propane
CID 143275437

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-acetylphenyl)sulfamoylsulfamoylamino]phenyl]ethanone?
The IUPAC name of 1-[4-[(4-acetylphenyl)sulfamoylsulfamoylamino]phenyl]ethanone (CID 12781230) is 1-[4-[(4-acetylphenyl)sulfamoylsulfamoylamino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(4-acetylphenyl)sulfamoylsulfamoylamino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(4-acetylphenyl)sulfamoylsulfamoylamino]phenyl]ethanone is CC(=O)c1ccc(NS(=O)(=O)NS(=O)(=O)Nc2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 1-[4-[(4-acetylphenyl)sulfamoylsulfamoylamino]phenyl]ethanone?
The InChIKey is LBXFUTGDVGKZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O6S2/c1-11(20)13-3-7-15(8-4-13)17-26(22,23)19-27(24,25)18-16-9-5-14(6-10-16)12(2)21/h3-10,17-19H,1-2H3.
What are the key properties of 1-[4-[(4-acetylphenyl)sulfamoylsulfamoylamino]phenyl]ethanone?
1-[4-[(4-acetylphenyl)sulfamoylsulfamoylamino]phenyl]ethanone has a molecular weight of 411.46 g/mol, XLogP of 1.70, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-acetylphenyl)sulfamoylsulfamoylamino]phenyl]ethanone is sourced from PubChem (CID 12781230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).