N-[(1S)-1-(1-adamantyl)ethyl]benzenesulfonamide

C18H25NO2S — CID 40554657

IUPACN-[(1S)-1-(1-adamantyl)ethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H25NO2S/c1-13(19-22(20,21)17-5-3-2-4-6-17)18-10-14-7-15(11-18)9-16(8-14)12-18/h2-6,13-16,19H,7-12H2,1H3/t13-,14?,15?,16?,18?/m0/s1
InChIKeyNUXUVWFBHALEIM-IILDEKEXSA-N
MW319.47 g/mol
LogP3.57
Rot. Bonds4

About N-[(1S)-1-(1-adamantyl)ethyl]benzenesulfonamide

N-[(1S)-1-(1-adamantyl)ethyl]benzenesulfonamide (PubChem CID 40554657) has the molecular formula C18H25NO2S and a molecular weight of 319.47 g/mol. Its IUPAC name is N-[(1S)-1-(1-adamantyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-adamantyl)ethyl]benzenesulfonamide
PubChem CID40554657
Molecular FormulaC18H25NO2S
Molecular Weight319.47 g/mol
Exact Mass319.16
IUPAC NameN-[(1S)-1-(1-adamantyl)ethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H25NO2S/c1-13(19-22(20,21)17-5-3-2-4-6-17)18-10-14-7-15(11-18)9-16(8-14)12-18/h2-6,13-16,19H,7-12H2,1H3/t13-,14?,15?,16?,18?/m0/s1
InChIKeyNUXUVWFBHALEIM-IILDEKEXSA-N
XLogP3.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-[(1R,3R,6R,9S)-3-tricyclo[4.4.1.13,9]dodecanyl]ethyl]benzenesulfonamide
CID 124767455
N-[(1R)-1-[(1R,3S,6S,9R)-3-tricyclo[4.4.1.13,9]dodecanyl]ethyl]benzenesulfonamide
CID 98188856
N-[(1S)-1-[(1R,3R,6S,9R)-3-tricyclo[4.4.1.13,9]dodecanyl]ethyl]benzenesulfonamide
CID 98188857
N-[1-(1-adamantyl)ethyl]-4-tert-butylbenzenesulfonamide
CID 19681573
N-[1-(1-adamantyl)ethyl]-4-ethylbenzenesulfonamide
CID 19681569
N-[1-(1-adamantyl)ethyl]-3,4-difluorobenzenesulfonamide
CID 3274556
N-[1-(1-adamantyl)ethyl]-2-(benzenesulfonamido)-4-methylsulfanylbutanamide
CID 112789579
N-[(1S)-1-(1-adamantyl)ethyl]-2-oxo-3H-1,3-benzothiazole-5-sulfonamide
CID 29038200
N-[1-(1-adamantyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 19681579
N-[1-(1-adamantyl)ethyl]-1-(benzenesulfonyl)cyclopentane-1-carboxamide
CID 16591786
(2S)-2-(1-adamantyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetic acid
CID 7063115
N-[[4-[[(1R)-1-(1-adamantyl)ethyl]sulfamoyl]phenyl]carbamothioyl]furan-2-carboxamide
CID 7060188

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-adamantyl)ethyl]benzenesulfonamide?
The IUPAC name of N-[(1S)-1-(1-adamantyl)ethyl]benzenesulfonamide (CID 40554657) is N-[(1S)-1-(1-adamantyl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[(1S)-1-(1-adamantyl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[(1S)-1-(1-adamantyl)ethyl]benzenesulfonamide is C[C@H](NS(=O)(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1S)-1-(1-adamantyl)ethyl]benzenesulfonamide?
The InChIKey is NUXUVWFBHALEIM-IILDEKEXSA-N. The full InChI is InChI=1S/C18H25NO2S/c1-13(19-22(20,21)17-5-3-2-4-6-17)18-10-14-7-15(11-18)9-16(8-14)12-18/h2-6,13-16,19H,7-12H2,1H3/t13-,14?,15?,16?,18?/m0/s1.
What are the key properties of N-[(1S)-1-(1-adamantyl)ethyl]benzenesulfonamide?
N-[(1S)-1-(1-adamantyl)ethyl]benzenesulfonamide has a molecular weight of 319.47 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-adamantyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 40554657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).