2,4,6-trimethyl-N-(5-methyl-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)benzenesulfonamide

C21H26N2O2S — CID 5264113

IUPAC2,4,6-trimethyl-N-(5-methyl-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC2CC3c4c(cccc42)CCN3C)c(C)c1
InChIInChI=1S/C21H26N2O2S/c1-13-10-14(2)21(15(3)11-13)26(24,25)22-18-12-19-20-16(8-9-23(19)4)6-5-7-17(18)20/h5-7,10-11,18-19,22H,8-9,12H2,1-4H3
InChIKeyNCRLQWUUZJSMCP-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.56
Rot. Bonds3

About 2,4,6-trimethyl-N-(5-methyl-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)benzenesulfonamide

2,4,6-trimethyl-N-(5-methyl-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)benzenesulfonamide (PubChem CID 5264113) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(5-methyl-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(5-methyl-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)benzenesulfonamide
PubChem CID5264113
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name2,4,6-trimethyl-N-(5-methyl-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC2CC3c4c(cccc42)CCN3C)c(C)c1
InChIInChI=1S/C21H26N2O2S/c1-13-10-14(2)21(15(3)11-13)26(24,25)22-18-12-19-20-16(8-9-23(19)4)6-5-7-17(18)20/h5-7,10-11,18-19,22H,8-9,12H2,1-4H3
InChIKeyNCRLQWUUZJSMCP-UHFFFAOYSA-N
XLogP3.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-[(2,4,6-trimethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-2-yl] methanesulfinate
CID 144862875
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,4,6-trimethylbenzenesulfonamide
CID 120722170
[(1R,2S)-1-[(2,4,6-trimethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-2-yl] 4-methylbenzenesulfinate
CID 134880317
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)sulfonylacetamide
CID 155548215
2-methyl-11-(4-methylphenyl)sulfonyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene
CID 5264064
2,4,6-trimethyl-N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]benzenesulfonamide
CID 10552105
(6aS)-10-methoxy-6,9-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 10107666
N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzenesulfonamide
CID 104953218
N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide
CID 7564631
(6aS)-10-fluoro-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 19686
4-amino-2,6-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide
CID 79570373
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2,4,6-trimethylbenzenesulfonamide
CID 11896359

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(5-methyl-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-(5-methyl-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)benzenesulfonamide (CID 5264113) is 2,4,6-trimethyl-N-(5-methyl-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(5-methyl-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-(5-methyl-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NC2CC3c4c(cccc42)CCN3C)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(5-methyl-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)benzenesulfonamide?
The InChIKey is NCRLQWUUZJSMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-13-10-14(2)21(15(3)11-13)26(24,25)22-18-12-19-20-16(8-9-23(19)4)6-5-7-17(18)20/h5-7,10-11,18-19,22H,8-9,12H2,1-4H3.
What are the key properties of 2,4,6-trimethyl-N-(5-methyl-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)benzenesulfonamide?
2,4,6-trimethyl-N-(5-methyl-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)benzenesulfonamide has a molecular weight of 370.52 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(5-methyl-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)benzenesulfonamide is sourced from PubChem (CID 5264113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).