N-[4-(difluoromethylsulfonyl)phenyl]adamantane-1-carboxamide

C18H21F2NO3S — CID 4880033

IUPACN-[4-(difluoromethylsulfonyl)phenyl]adamantane-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H21F2NO3S/c19-17(20)25(23,24)15-3-1-14(2-4-15)21-16(22)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13,17H,5-10H2,(H,21,22)
InChIKeyDLNRDXSDDUFQLG-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.84
Rot. Bonds4

About N-[4-(difluoromethylsulfonyl)phenyl]adamantane-1-carboxamide

N-[4-(difluoromethylsulfonyl)phenyl]adamantane-1-carboxamide (PubChem CID 4880033) has the molecular formula C18H21F2NO3S and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfonyl)phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfonyl)phenyl]adamantane-1-carboxamide
PubChem CID4880033
Molecular FormulaC18H21F2NO3S
Molecular Weight369.43 g/mol
Exact Mass369.12
IUPAC NameN-[4-(difluoromethylsulfonyl)phenyl]adamantane-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H21F2NO3S/c19-17(20)25(23,24)15-3-1-14(2-4-15)21-16(22)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13,17H,5-10H2,(H,21,22)
InChIKeyDLNRDXSDDUFQLG-UHFFFAOYSA-N
XLogP3.84
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(tert-butylsulfamoyl)phenyl]adamantane-1-carboxamide
CID 54787422
N-(4-formylphenyl)adamantane-1-carboxamide
CID 106912217
N-(4-formamidophenyl)adamantane-1-carboxamide
CID 168653489
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]adamantane-1-carboxamide
CID 2933308
N-(4-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide
CID 3585715
N-(4-acetylphenyl)adamantane-1-carboxamide
CID 2836424
N-(4-trimethylsilylphenyl)adamantane-1-carboxamide
CID 171577278
(3S,6R)-N-(4-methylphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 762997
4-[[(3S,6R)-tricyclo[4.3.1.13,8]undecane-1-carbonyl]amino]benzoic acid
CID 6990096
N-[4-(butanoylamino)phenyl]adamantane-1-carboxamide
CID 54787349
(5R,7R)-3-chloro-N-(4-methylsulfonylphenyl)adamantane-1-carboxamide
CID 98349263
N-[(1S)-1-(1-adamantyl)ethyl]-4-(difluoromethylsulfonyl)benzamide
CID 7860707

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]adamantane-1-carboxamide?
The IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]adamantane-1-carboxamide (CID 4880033) is N-[4-(difluoromethylsulfonyl)phenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[4-(difluoromethylsulfonyl)phenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[4-(difluoromethylsulfonyl)phenyl]adamantane-1-carboxamide is O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[4-(difluoromethylsulfonyl)phenyl]adamantane-1-carboxamide?
The InChIKey is DLNRDXSDDUFQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2NO3S/c19-17(20)25(23,24)15-3-1-14(2-4-15)21-16(22)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13,17H,5-10H2,(H,21,22).
What are the key properties of N-[4-(difluoromethylsulfonyl)phenyl]adamantane-1-carboxamide?
N-[4-(difluoromethylsulfonyl)phenyl]adamantane-1-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfonyl)phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 4880033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).