N-(1-adamantylmethyl)-2,3,5,6-tetramethylbenzenesulfonamide

C21H31NO2S — CID 7937592

IUPACN-(1-adamantylmethyl)-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCC23CC4CC(CC(C4)C2)C3)c1C
InChIInChI=1S/C21H31NO2S/c1-13-5-14(2)16(4)20(15(13)3)25(23,24)22-12-21-9-17-6-18(10-21)8-19(7-17)11-21/h5,17-19,22H,6-12H2,1-4H3
InChIKeyAVKSFGUCWGRANI-UHFFFAOYSA-N
MW361.55 g/mol
LogP4.41
Rot. Bonds4

About N-(1-adamantylmethyl)-2,3,5,6-tetramethylbenzenesulfonamide

N-(1-adamantylmethyl)-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 7937592) has the molecular formula C21H31NO2S and a molecular weight of 361.55 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID7937592
Molecular FormulaC21H31NO2S
Molecular Weight361.55 g/mol
Exact Mass361.21
IUPAC NameN-(1-adamantylmethyl)-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCC23CC4CC(CC(C4)C2)C3)c1C
InChIInChI=1S/C21H31NO2S/c1-13-5-14(2)16(4)20(15(13)3)25(23,24)22-12-21-9-17-6-18(10-21)8-19(7-17)11-21/h5,17-19,22H,6-12H2,1-4H3
InChIKeyAVKSFGUCWGRANI-UHFFFAOYSA-N
XLogP4.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.55
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 114749847
N-(1-adamantylmethyl)-3-chloro-2-methylbenzenesulfonamide
CID 24891141
N-(1-adamantylmethyl)benzenesulfonamide
CID 22206704
N-(1-adamantylmethyl)-4-chlorobenzenesulfonamide
CID 19575240
N-(1-adamantylmethyl)-4-aminothiophene-2-sulfonamide
CID 61300366
1-(1-adamantyl)-N-(1-adamantylmethylsulfamoylsulfamoyl)methanamine
CID 10217321
2,3,5,6-tetramethyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
CID 30943321
2,3,5,6-tetramethyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62659681
N-[(3-hydroxycyclopentyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 103270305
N-[[(2S)-1,4-dithian-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 95975392
N-(1-adamantylmethyl)-2-bromobenzenesulfonamide
CID 3687690
N-(1-adamantylmethyl)-3-cyanobenzenesulfonamide
CID 7509882

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-(1-adamantylmethyl)-2,3,5,6-tetramethylbenzenesulfonamide (CID 7937592) is N-(1-adamantylmethyl)-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-(1-adamantylmethyl)-2,3,5,6-tetramethylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)NCC23CC4CC(CC(C4)C2)C3)c1C.
What is the InChIKey of N-(1-adamantylmethyl)-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is AVKSFGUCWGRANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2S/c1-13-5-14(2)16(4)20(15(13)3)25(23,24)22-12-21-9-17-6-18(10-21)8-19(7-17)11-21/h5,17-19,22H,6-12H2,1-4H3.
What are the key properties of N-(1-adamantylmethyl)-2,3,5,6-tetramethylbenzenesulfonamide?
N-(1-adamantylmethyl)-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 361.55 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 7937592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).