2,4,6-trimethyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide

C24H34N2O4S2 — CID 11754834

IUPAC2,4,6-trimethyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c(C)c1
InChIInChI=1S/C24H34N2O4S2/c1-16-11-18(3)23(19(4)12-16)31(27,28)25-15-22-7-9-26(10-8-22)32(29,30)24-20(5)13-17(2)14-21(24)6/h11-14,22,25H,7-10,15H2,1-6H3
InChIKeyZZSNCACPWGVVQA-UHFFFAOYSA-N
MW478.68 g/mol
LogP3.92
Rot. Bonds6

About 2,4,6-trimethyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide

2,4,6-trimethyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 11754834) has the molecular formula C24H34N2O4S2 and a molecular weight of 478.68 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide
PubChem CID11754834
Molecular FormulaC24H34N2O4S2
Molecular Weight478.68 g/mol
Exact Mass478.20
IUPAC Name2,4,6-trimethyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c(C)c1
InChIInChI=1S/C24H34N2O4S2/c1-16-11-18(3)23(19(4)12-16)31(27,28)25-15-22-7-9-26(10-8-22)32(29,30)24-20(5)13-17(2)14-21(24)6/h11-14,22,25H,7-10,15H2,1-6H3
InChIKeyZZSNCACPWGVVQA-UHFFFAOYSA-N
XLogP3.92
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.68
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine
CID 119990592
2,4,6-trimethyl-N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]benzenesulfonamide
CID 10552105
2,4,6-trimethyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121109738
1-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978472
4-methyl-N-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide
CID 998279
N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 49458647
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 8025540
N-[[4-(4-benzylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 20968630
4-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine
CID 146627881
N'-(piperidin-2-ylmethyl)-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]butane-1,4-diamine;hydrochloride
CID 139906527
N-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119961271
3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]-1,3-diazabicyclo[2.2.2]octane
CID 118314239

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide (CID 11754834) is 2,4,6-trimethyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCC2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is ZZSNCACPWGVVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O4S2/c1-16-11-18(3)23(19(4)12-16)31(27,28)25-15-22-7-9-26(10-8-22)32(29,30)24-20(5)13-17(2)14-21(24)6/h11-14,22,25H,7-10,15H2,1-6H3.
What are the key properties of 2,4,6-trimethyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide?
2,4,6-trimethyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 478.68 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 11754834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).