4-(1-adamantylmethylsulfamoyl)benzamide

C18H24N2O3S — CID 86911830

IUPAC4-(1-adamantylmethylsulfamoyl)benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)NCC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H24N2O3S/c19-17(21)15-1-3-16(4-2-15)24(22,23)20-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14,20H,5-11H2,(H2,19,21)
InChIKeyKDIFCYYZEXHVAS-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.28
Rot. Bonds5

About 4-(1-adamantylmethylsulfamoyl)benzamide

4-(1-adamantylmethylsulfamoyl)benzamide (PubChem CID 86911830) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 4-(1-adamantylmethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-(1-adamantylmethylsulfamoyl)benzamide
PubChem CID86911830
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name4-(1-adamantylmethylsulfamoyl)benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)NCC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H24N2O3S/c19-17(21)15-1-3-16(4-2-15)24(22,23)20-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14,20H,5-11H2,(H2,19,21)
InChIKeyKDIFCYYZEXHVAS-UHFFFAOYSA-N
XLogP2.28
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantylmethyl)-4-chlorobenzenesulfonamide
CID 19575240
N-(1-adamantylmethyl)benzenesulfonamide
CID 22206704
4-(1-adamantylmethylcarbamoylamino)benzamide
CID 108870439
4-[(1-phenylcyclohexyl)methylsulfamoyl]benzamide
CID 46457755
N-(1-adamantylmethyl)-3-cyanobenzenesulfonamide
CID 7509882
N-(1-adamantylmethyl)-5-chloronaphthalene-2-sulfonamide
CID 54571729
4-(1-adamantylsulfamoyl)benzoate
CID 7119512
4-(5-hydroxypentylsulfamoyl)benzamide
CID 107319438
4-[2-(methylamino)propylsulfamoyl]benzamide
CID 120824934
4-(methylsulfamoyl)benzamide
CID 43241290
2-(1-adamantylmethylsulfamoyl)acetic acid
CID 43173102
N-(1-adamantylmethyl)-4-(azepan-1-ylsulfonyl)benzamide
CID 7921319

Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantylmethylsulfamoyl)benzamide?
The IUPAC name of 4-(1-adamantylmethylsulfamoyl)benzamide (CID 86911830) is 4-(1-adamantylmethylsulfamoyl)benzamide.
What is the SMILES notation for 4-(1-adamantylmethylsulfamoyl)benzamide?
The canonical SMILES for 4-(1-adamantylmethylsulfamoyl)benzamide is NC(=O)c1ccc(S(=O)(=O)NCC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 4-(1-adamantylmethylsulfamoyl)benzamide?
The InChIKey is KDIFCYYZEXHVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c19-17(21)15-1-3-16(4-2-15)24(22,23)20-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14,20H,5-11H2,(H2,19,21).
What are the key properties of 4-(1-adamantylmethylsulfamoyl)benzamide?
4-(1-adamantylmethylsulfamoyl)benzamide has a molecular weight of 348.47 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantylmethylsulfamoyl)benzamide is sourced from PubChem (CID 86911830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).