2,4,6-trimethyl-N-[4-[[4-[(2,4,6-trimethylphenyl)sulfonylamino]cyclohexyl]methyl]cyclohexyl]benzenesulfonamide

C31H46N2O4S2 — CID 46192720

IUPAC2,4,6-trimethyl-N-[4-[[4-[(2,4,6-trimethylphenyl)sulfonylamino]cyclohexyl]methyl]cyclohexyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC2CCC(CC3CCC(NS(=O)(=O)c4c(C)cc(C)cc4C)CC3)CC2)c(C)c1
InChIInChI=1S/C31H46N2O4S2/c1-20-15-22(3)30(23(4)16-20)38(34,35)32-28-11-7-26(8-12-28)19-27-9-13-29(14-10-27)33-39(36,37)31-24(5)17-21(2)18-25(31)6/h15-18,26-29,32-33H,7-14,19H2,1-6H3
InChIKeyFCEQYOGKLQPPTR-UHFFFAOYSA-N
MW574.85 g/mol
LogP6.30
Rot. Bonds8

About 2,4,6-trimethyl-N-[4-[[4-[(2,4,6-trimethylphenyl)sulfonylamino]cyclohexyl]methyl]cyclohexyl]benzenesulfonamide

2,4,6-trimethyl-N-[4-[[4-[(2,4,6-trimethylphenyl)sulfonylamino]cyclohexyl]methyl]cyclohexyl]benzenesulfonamide (PubChem CID 46192720) has the molecular formula C31H46N2O4S2 and a molecular weight of 574.85 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[4-[[4-[(2,4,6-trimethylphenyl)sulfonylamino]cyclohexyl]methyl]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[4-[[4-[(2,4,6-trimethylphenyl)sulfonylamino]cyclohexyl]methyl]cyclohexyl]benzenesulfonamide
PubChem CID46192720
Molecular FormulaC31H46N2O4S2
Molecular Weight574.85 g/mol
Exact Mass574.29
IUPAC Name2,4,6-trimethyl-N-[4-[[4-[(2,4,6-trimethylphenyl)sulfonylamino]cyclohexyl]methyl]cyclohexyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC2CCC(CC3CCC(NS(=O)(=O)c4c(C)cc(C)cc4C)CC3)CC2)c(C)c1
InChIInChI=1S/C31H46N2O4S2/c1-20-15-22(3)30(23(4)16-20)38(34,35)32-28-11-7-26(8-12-28)19-27-9-13-29(14-10-27)33-39(36,37)31-24(5)17-21(2)18-25(31)6/h15-18,26-29,32-33H,7-14,19H2,1-6H3
InChIKeyFCEQYOGKLQPPTR-UHFFFAOYSA-N
XLogP6.30
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.85
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,4,6-trimethyl-N-[4-[[4-[(2,4,6-trimethylphenyl)sulfonylamino]cyclohexyl]methyl]cyclohexyl]benzenesulfonamide with MolForge

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Related Compounds

N-cyclopropyl-2-methoxy-4,6-dimethylbenzenesulfonamide
CID 110759510
N-cyclopropyl-4-hydroxy-2,6-dimethylbenzenesulfonamide
CID 91800483
2,4,6-trimethyl-N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]benzenesulfonamide
CID 10552105
N-(1,1-dioxothiolan-3-yl)-2,4,6-trimethylbenzenesulfonamide
CID 45154252
N-cyclopropyl-2,6-dimethyl-4-(propylamino)benzenesulfonamide
CID 107328516
ethyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945533
4-tert-butyl-N-cycloheptyl-2,6-dimethylbenzenesulfonamide
CID 7938165
N-cycloheptyl-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326676
N-(1-acetylpyrrolidin-3-yl)-2,4,6-trimethylbenzenesulfonamide
CID 110871404
N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzenesulfonamide
CID 104953218
N-cyclobutyl-4-hydrazinyl-2,6-dimethylbenzenesulfonamide
CID 107327980
4-fluoro-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 107326148

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[4-[[4-[(2,4,6-trimethylphenyl)sulfonylamino]cyclohexyl]methyl]cyclohexyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[4-[[4-[(2,4,6-trimethylphenyl)sulfonylamino]cyclohexyl]methyl]cyclohexyl]benzenesulfonamide (CID 46192720) is 2,4,6-trimethyl-N-[4-[[4-[(2,4,6-trimethylphenyl)sulfonylamino]cyclohexyl]methyl]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[4-[[4-[(2,4,6-trimethylphenyl)sulfonylamino]cyclohexyl]methyl]cyclohexyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[4-[[4-[(2,4,6-trimethylphenyl)sulfonylamino]cyclohexyl]methyl]cyclohexyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NC2CCC(CC3CCC(NS(=O)(=O)c4c(C)cc(C)cc4C)CC3)CC2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[4-[[4-[(2,4,6-trimethylphenyl)sulfonylamino]cyclohexyl]methyl]cyclohexyl]benzenesulfonamide?
The InChIKey is FCEQYOGKLQPPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H46N2O4S2/c1-20-15-22(3)30(23(4)16-20)38(34,35)32-28-11-7-26(8-12-28)19-27-9-13-29(14-10-27)33-39(36,37)31-24(5)17-21(2)18-25(31)6/h15-18,26-29,32-33H,7-14,19H2,1-6H3.
What are the key properties of 2,4,6-trimethyl-N-[4-[[4-[(2,4,6-trimethylphenyl)sulfonylamino]cyclohexyl]methyl]cyclohexyl]benzenesulfonamide?
2,4,6-trimethyl-N-[4-[[4-[(2,4,6-trimethylphenyl)sulfonylamino]cyclohexyl]methyl]cyclohexyl]benzenesulfonamide has a molecular weight of 574.85 g/mol, XLogP of 6.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[4-[[4-[(2,4,6-trimethylphenyl)sulfonylamino]cyclohexyl]methyl]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 46192720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).