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

C23H32N2O4S2 — CID 10552105

IUPAC2,4,6-trimethyl-N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c(C)c1
InChIInChI=1S/C23H32N2O4S2/c1-15-11-17(3)22(18(4)12-15)30(26,27)24-21-7-9-25(10-8-21)31(28,29)23-19(5)13-16(2)14-20(23)6/h11-14,21,24H,7-10H2,1-6H3
InChIKeyJKQPLBVDUHUNGL-UHFFFAOYSA-N
MW464.65 g/mol
LogP3.67
Rot. Bonds5

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

2,4,6-trimethyl-N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]benzenesulfonamide (PubChem CID 10552105) has the molecular formula C23H32N2O4S2 and a molecular weight of 464.65 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]benzenesulfonamide
PubChem CID10552105
Molecular FormulaC23H32N2O4S2
Molecular Weight464.65 g/mol
Exact Mass464.18
IUPAC Name2,4,6-trimethyl-N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c(C)c1
InChIInChI=1S/C23H32N2O4S2/c1-15-11-17(3)22(18(4)12-15)30(26,27)24-21-7-9-25(10-8-21)31(28,29)23-19(5)13-16(2)14-20(23)6/h11-14,21,24H,7-10H2,1-6H3
InChIKeyJKQPLBVDUHUNGL-UHFFFAOYSA-N
XLogP3.67
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.65
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-trimethyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide
CID 11754834
N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 49458647
ethyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945533
2,4,6-trimethyl-N-[4-[[4-[(2,4,6-trimethylphenyl)sulfonylamino]cyclohexyl]methyl]cyclohexyl]benzenesulfonamide
CID 46192720
N-(1-acetylpyrrolidin-3-yl)-2,4,6-trimethylbenzenesulfonamide
CID 110871404
N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine
CID 119990592
4-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine
CID 146627881
3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]-1,3-diazabicyclo[2.2.2]octane
CID 118314239
N-(1,1-dioxothiolan-3-yl)-2,4,6-trimethylbenzenesulfonamide
CID 45154252
N-cyclopropyl-2-methoxy-4,6-dimethylbenzenesulfonamide
CID 110759510
4-hydrazinyl-2,6-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 107327849
N-cyclopropyl-4-hydroxy-2,6-dimethylbenzenesulfonamide
CID 91800483

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]benzenesulfonamide (CID 10552105) is 2,4,6-trimethyl-N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NC2CCN(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]benzenesulfonamide?
The InChIKey is JKQPLBVDUHUNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S2/c1-15-11-17(3)22(18(4)12-15)30(26,27)24-21-7-9-25(10-8-21)31(28,29)23-19(5)13-16(2)14-20(23)6/h11-14,21,24H,7-10H2,1-6H3.
What are the key properties of 2,4,6-trimethyl-N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]benzenesulfonamide?
2,4,6-trimethyl-N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]benzenesulfonamide has a molecular weight of 464.65 g/mol, XLogP of 3.67, 5 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]benzenesulfonamide is sourced from PubChem (CID 10552105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).