dimethyl-[[4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium

C19H27N2O2S+ — CID 9191357

IUPACdimethyl-[[4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium
SMILESCc1cc(C)c(S(=O)(=O)NCc2ccc(C[NH+](C)C)cc2)c(C)c1
InChIInChI=1S/C19H26N2O2S/c1-14-10-15(2)19(16(3)11-14)24(22,23)20-12-17-6-8-18(9-7-17)13-21(4)5/h6-11,20H,12-13H2,1-5H3/p+1
InChIKeyVMMGVHKPNSPLMW-UHFFFAOYSA-O
MW347.50 g/mol
LogP1.73
Rot. Bonds6

About dimethyl-[[4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium

dimethyl-[[4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium (PubChem CID 9191357) has the molecular formula C19H27N2O2S+ and a molecular weight of 347.50 g/mol. Its IUPAC name is dimethyl-[[4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium.

Molecular Properties

Compound Namedimethyl-[[4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium
PubChem CID9191357
Molecular FormulaC19H27N2O2S+
Molecular Weight347.50 g/mol
Exact Mass347.18
IUPAC Namedimethyl-[[4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium
SMILESCc1cc(C)c(S(=O)(=O)NCc2ccc(C[NH+](C)C)cc2)c(C)c1
InChIInChI=1S/C19H26N2O2S/c1-14-10-15(2)19(16(3)11-14)24(22,23)20-12-17-6-8-18(9-7-17)13-21(4)5/h6-11,20H,12-13H2,1-5H3/p+1
InChIKeyVMMGVHKPNSPLMW-UHFFFAOYSA-O
XLogP1.73
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

dimethyl-[[4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium
CID 9191339
N-[(4-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide
CID 668979
2,4,6-trimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 47015636
N-ethyl-4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]benzamide
CID 55905207
[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
2,4,6-trimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121165596
[4-[[(3-acetylphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191371
methyl 3-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]benzoate
CID 134944324
[4-[[(4-acetamidophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191327
4-methoxy-2,3,6-trimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 3602682

Frequently Asked Questions

What is the IUPAC name of dimethyl-[[4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium?
The IUPAC name of dimethyl-[[4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium (CID 9191357) is dimethyl-[[4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium.
What is the SMILES notation for dimethyl-[[4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium?
The canonical SMILES for dimethyl-[[4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium is Cc1cc(C)c(S(=O)(=O)NCc2ccc(C[NH+](C)C)cc2)c(C)c1.
What is the InChIKey of dimethyl-[[4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium?
The InChIKey is VMMGVHKPNSPLMW-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H26N2O2S/c1-14-10-15(2)19(16(3)11-14)24(22,23)20-12-17-6-8-18(9-7-17)13-21(4)5/h6-11,20H,12-13H2,1-5H3/p+1.
What are the key properties of dimethyl-[[4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium?
dimethyl-[[4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium has a molecular weight of 347.50 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[[4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium is sourced from PubChem (CID 9191357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).