dimethyl-[[4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium

C20H29N2O2S+ — CID 9191339

IUPACdimethyl-[[4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(C[NH+](C)C)cc2)c1C
InChIInChI=1S/C20H28N2O2S/c1-14-11-15(2)17(4)20(16(14)3)25(23,24)21-12-18-7-9-19(10-8-18)13-22(5)6/h7-11,21H,12-13H2,1-6H3/p+1
InChIKeyGGCCTPKCZYHVMQ-UHFFFAOYSA-O
MW361.53 g/mol
LogP2.04
Rot. Bonds6

About dimethyl-[[4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium

dimethyl-[[4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium (PubChem CID 9191339) has the molecular formula C20H29N2O2S+ and a molecular weight of 361.53 g/mol. Its IUPAC name is dimethyl-[[4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium.

Molecular Properties

Compound Namedimethyl-[[4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium
PubChem CID9191339
Molecular FormulaC20H29N2O2S+
Molecular Weight361.53 g/mol
Exact Mass361.19
IUPAC Namedimethyl-[[4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(C[NH+](C)C)cc2)c1C
InChIInChI=1S/C20H28N2O2S/c1-14-11-15(2)17(4)20(16(14)3)25(23,24)21-12-18-7-9-19(10-8-18)13-22(5)6/h7-11,21H,12-13H2,1-6H3/p+1
InChIKeyGGCCTPKCZYHVMQ-UHFFFAOYSA-O
XLogP2.04
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

dimethyl-[[4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium
CID 9191357
4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzoic acid
CID 852335
4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzoate
CID 4157565
N-[(3,5-dimethylphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 3350603
N-[(3,4-dimethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 7938177
2,3,5,6-tetramethyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzenesulfonamide
CID 52616778
N-[(3,4-diethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22206221
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 60530891
[4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191359
[4-[[(4-chloro-2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191387
[4-[[(4-cyanophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191393
N-(oxolan-2-ylmethyl)-4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzamide
CID 2959093

Frequently Asked Questions

What is the IUPAC name of dimethyl-[[4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium?
The IUPAC name of dimethyl-[[4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium (CID 9191339) is dimethyl-[[4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium.
What is the SMILES notation for dimethyl-[[4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium?
The canonical SMILES for dimethyl-[[4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium is Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(C[NH+](C)C)cc2)c1C.
What is the InChIKey of dimethyl-[[4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium?
The InChIKey is GGCCTPKCZYHVMQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H28N2O2S/c1-14-11-15(2)17(4)20(16(14)3)25(23,24)21-12-18-7-9-19(10-8-18)13-22(5)6/h7-11,21H,12-13H2,1-6H3/p+1.
What are the key properties of dimethyl-[[4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium?
dimethyl-[[4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium has a molecular weight of 361.53 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[[4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium is sourced from PubChem (CID 9191339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).