N-(1-adamantyl)-1-(4-chlorophenyl)methanesulfonamide

C17H22ClNO2S — CID 18891425

IUPACN-(1-adamantyl)-1-(4-chlorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H22ClNO2S/c18-16-3-1-12(2-4-16)11-22(20,21)19-17-8-13-5-14(9-17)7-15(6-13)10-17/h1-4,13-15,19H,5-11H2
InChIKeyWGGZSDTZMHMROJ-UHFFFAOYSA-N
MW339.89 g/mol
LogP3.73
Rot. Bonds4

About N-(1-adamantyl)-1-(4-chlorophenyl)methanesulfonamide

N-(1-adamantyl)-1-(4-chlorophenyl)methanesulfonamide (PubChem CID 18891425) has the molecular formula C17H22ClNO2S and a molecular weight of 339.89 g/mol. Its IUPAC name is N-(1-adamantyl)-1-(4-chlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-(4-chlorophenyl)methanesulfonamide
PubChem CID18891425
Molecular FormulaC17H22ClNO2S
Molecular Weight339.89 g/mol
Exact Mass339.11
IUPAC NameN-(1-adamantyl)-1-(4-chlorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H22ClNO2S/c18-16-3-1-12(2-4-16)11-22(20,21)19-17-8-13-5-14(9-17)7-15(6-13)10-17/h1-4,13-15,19H,5-11H2
InChIKeyWGGZSDTZMHMROJ-UHFFFAOYSA-N
XLogP3.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.89
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-(4-chlorophenyl)methanesulfonamide?
The IUPAC name of N-(1-adamantyl)-1-(4-chlorophenyl)methanesulfonamide (CID 18891425) is N-(1-adamantyl)-1-(4-chlorophenyl)methanesulfonamide.
What is the SMILES notation for N-(1-adamantyl)-1-(4-chlorophenyl)methanesulfonamide?
The canonical SMILES for N-(1-adamantyl)-1-(4-chlorophenyl)methanesulfonamide is O=S(=O)(Cc1ccc(Cl)cc1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-1-(4-chlorophenyl)methanesulfonamide?
The InChIKey is WGGZSDTZMHMROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO2S/c18-16-3-1-12(2-4-16)11-22(20,21)19-17-8-13-5-14(9-17)7-15(6-13)10-17/h1-4,13-15,19H,5-11H2.
What are the key properties of N-(1-adamantyl)-1-(4-chlorophenyl)methanesulfonamide?
N-(1-adamantyl)-1-(4-chlorophenyl)methanesulfonamide has a molecular weight of 339.89 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-(4-chlorophenyl)methanesulfonamide is sourced from PubChem (CID 18891425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).