3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide

C24H26ClN3O4S — CID 141476428

IUPAC3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(CC(NC(=O)c4ccccc4NS(=O)(=O)c4ccc(Cl)cc4)(C3)C1)C2
InChIInChI=1S/C24H26ClN3O4S/c25-17-5-7-18(8-6-17)33(31,32)28-20-4-2-1-3-19(20)21(29)27-24-12-15-9-16(13-24)11-23(10-15,14-24)22(26)30/h1-8,15-16,28H,9-14H2,(H2,26,30)(H,27,29)
InChIKeyZFHZLDFDSQKLBO-UHFFFAOYSA-N
MW488.01 g/mol
LogP3.69
Rot. Bonds6

About 3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide

3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide (PubChem CID 141476428) has the molecular formula C24H26ClN3O4S and a molecular weight of 488.01 g/mol. Its IUPAC name is 3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide.

Molecular Properties

Compound Name3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
PubChem CID141476428
Molecular FormulaC24H26ClN3O4S
Molecular Weight488.01 g/mol
Exact Mass487.13
IUPAC Name3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(CC(NC(=O)c4ccccc4NS(=O)(=O)c4ccc(Cl)cc4)(C3)C1)C2
InChIInChI=1S/C24H26ClN3O4S/c25-17-5-7-18(8-6-17)33(31,32)28-20-4-2-1-3-19(20)21(29)27-24-12-15-9-16(13-24)11-23(10-15,14-24)22(26)30/h1-8,15-16,28H,9-14H2,(H2,26,30)(H,27,29)
InChIKeyZFHZLDFDSQKLBO-UHFFFAOYSA-N
XLogP3.69
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.01
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzamide
CID 1325152
N-(1-adamantyl)-2-(thiophen-2-ylsulfonylamino)benzamide
CID 5064484
2-[[4-(1-adamantyl)phenyl]sulfonylamino]benzamide
CID 7939015
2-[(4-chlorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)benzamide
CID 44898447
2-(benzenesulfonamido)-N-(4-chlorophenyl)benzamide
CID 1243115
3-[[2-[(2,3-dichlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide
CID 90294303
3-[[1-[(3-chloro-2-methylphenyl)sulfonylamino]cyclobutanecarbonyl]amino]adamantane-1-carboxamide
CID 90294402
N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 2947064
N-(3-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 44898444
2-[(4-chlorophenyl)sulfonylamino]-N-(2-hydroxy-2-phenylethyl)benzamide
CID 55527722
3-[[2-methyl-2-[(2,4,6-trichlorophenyl)sulfonylamino]propanoyl]amino]adamantane-1-carboxamide
CID 90294281
4-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
CID 118260381

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide?
The IUPAC name of 3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide (CID 141476428) is 3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide.
What is the SMILES notation for 3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide?
The canonical SMILES for 3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide is NC(=O)C12CC3CC(CC(NC(=O)c4ccccc4NS(=O)(=O)c4ccc(Cl)cc4)(C3)C1)C2.
What is the InChIKey of 3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide?
The InChIKey is ZFHZLDFDSQKLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O4S/c25-17-5-7-18(8-6-17)33(31,32)28-20-4-2-1-3-19(20)21(29)27-24-12-15-9-16(13-24)11-23(10-15,14-24)22(26)30/h1-8,15-16,28H,9-14H2,(H2,26,30)(H,27,29).
What are the key properties of 3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide?
3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide has a molecular weight of 488.01 g/mol, XLogP of 3.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide is sourced from PubChem (CID 141476428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).