N,N'-bis[4-(acetylsulfamoyl)phenyl]hexanediamide

C22H26N4O8S2 — CID 3474503

IUPACN,N'-bis[4-(acetylsulfamoyl)phenyl]hexanediamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)CCCCC(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1
InChIInChI=1S/C22H26N4O8S2/c1-15(27)25-35(31,32)19-11-7-17(8-12-19)23-21(29)5-3-4-6-22(30)24-18-9-13-20(14-10-18)36(33,34)26-16(2)28/h7-14H,3-6H2,1-2H3,(H,23,29)(H,24,30)(H,25,27)(H,26,28)
InChIKeyCOIMFWJDNKBBLJ-UHFFFAOYSA-N
MW538.60 g/mol
LogP1.47
Rot. Bonds11

About N,N'-bis[4-(acetylsulfamoyl)phenyl]hexanediamide

N,N'-bis[4-(acetylsulfamoyl)phenyl]hexanediamide (PubChem CID 3474503) has the molecular formula C22H26N4O8S2 and a molecular weight of 538.60 g/mol. Its IUPAC name is N,N'-bis[4-(acetylsulfamoyl)phenyl]hexanediamide.

Molecular Properties

Compound NameN,N'-bis[4-(acetylsulfamoyl)phenyl]hexanediamide
PubChem CID3474503
Molecular FormulaC22H26N4O8S2
Molecular Weight538.60 g/mol
Exact Mass538.12
IUPAC NameN,N'-bis[4-(acetylsulfamoyl)phenyl]hexanediamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)CCCCC(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1
InChIInChI=1S/C22H26N4O8S2/c1-15(27)25-35(31,32)19-11-7-17(8-12-19)23-21(29)5-3-4-6-22(30)24-18-9-13-20(14-10-18)36(33,34)26-16(2)28/h7-14H,3-6H2,1-2H3,(H,23,29)(H,24,30)(H,25,27)(H,26,28)
InChIKeyCOIMFWJDNKBBLJ-UHFFFAOYSA-N
XLogP1.47
TPSA184.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.60
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[4-(acetylsulfamoyl)phenyl]pentanediamide
CID 4199591
N,N'-bis[(4-acetamidophenyl)sulfonyl]heptanediamide
CID 102513773
N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]heptanamide
CID 54789393
N,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide
CID 4992549
N,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide
CID 4924725
N-[4-(acetylsulfamoyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 3379076
N-[4-(4-acetamidophenyl)sulfonylphenyl]decanamide
CID 3028150
N-[4-(acetylsulfamoyl)phenyl]-2-(2-aminoethylsulfanyl)acetamide
CID 84553115
N-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 1321236
N,N'-bis[4-(prop-2-enylsulfamoyl)phenyl]nonanediamide
CID 4930373
5-hydroxy-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 79194887
5-bromo-N-[4-(ethylsulfamoyl)phenyl]pentanamide
CID 107908944

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-(acetylsulfamoyl)phenyl]hexanediamide?
The IUPAC name of N,N'-bis[4-(acetylsulfamoyl)phenyl]hexanediamide (CID 3474503) is N,N'-bis[4-(acetylsulfamoyl)phenyl]hexanediamide.
What is the SMILES notation for N,N'-bis[4-(acetylsulfamoyl)phenyl]hexanediamide?
The canonical SMILES for N,N'-bis[4-(acetylsulfamoyl)phenyl]hexanediamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)CCCCC(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1.
What is the InChIKey of N,N'-bis[4-(acetylsulfamoyl)phenyl]hexanediamide?
The InChIKey is COIMFWJDNKBBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O8S2/c1-15(27)25-35(31,32)19-11-7-17(8-12-19)23-21(29)5-3-4-6-22(30)24-18-9-13-20(14-10-18)36(33,34)26-16(2)28/h7-14H,3-6H2,1-2H3,(H,23,29)(H,24,30)(H,25,27)(H,26,28).
What are the key properties of N,N'-bis[4-(acetylsulfamoyl)phenyl]hexanediamide?
N,N'-bis[4-(acetylsulfamoyl)phenyl]hexanediamide has a molecular weight of 538.60 g/mol, XLogP of 1.47, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4-(acetylsulfamoyl)phenyl]hexanediamide is sourced from PubChem (CID 3474503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).