N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide

C16H17N3O6S2 — CID 71349024

IUPACN-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C16H17N3O6S2/c1-11(20)17-13-3-7-15(8-4-13)26(22,23)19-27(24,25)16-9-5-14(6-10-16)18-12(2)21/h3-10,19H,1-2H3,(H,17,20)(H,18,21)
InChIKeyDCUHIBWFVWJOGZ-UHFFFAOYSA-N
MW411.46 g/mol
LogP1.27
Rot. Bonds6

About N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide

N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide (PubChem CID 71349024) has the molecular formula C16H17N3O6S2 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
PubChem CID71349024
Molecular FormulaC16H17N3O6S2
Molecular Weight411.46 g/mol
Exact Mass411.06
IUPAC NameN-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C16H17N3O6S2/c1-11(20)17-13-3-7-15(8-4-13)26(22,23)19-27(24,25)16-9-5-14(6-10-16)18-12(2)21/h3-10,19H,1-2H3,(H,17,20)(H,18,21)
InChIKeyDCUHIBWFVWJOGZ-UHFFFAOYSA-N
XLogP1.27
TPSA138.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfamoyl]phenyl]acetamide
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N-[4-(chloro-methylidene-oxo-λ6-sulfanyl)phenyl]acetamide
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2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
N-[4-(prop-2-ynylsulfamoyl)phenyl]acetamide
CID 9356086
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N-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide azide
CID 159711754

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide (CID 71349024) is N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide?
The InChIKey is DCUHIBWFVWJOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O6S2/c1-11(20)17-13-3-7-15(8-4-13)26(22,23)19-27(24,25)16-9-5-14(6-10-16)18-12(2)21/h3-10,19H,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide?
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide has a molecular weight of 411.46 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 71349024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).