2,4,6-trimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide

C20H28N2O4S2 — CID 47015636

IUPAC2,4,6-trimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)c(C)c1
InChIInChI=1S/C20H28N2O4S2/c1-14(2)22-27(23,24)13-19-8-6-18(7-9-19)12-21-28(25,26)20-16(4)10-15(3)11-17(20)5/h6-11,14,21-22H,12-13H2,1-5H3
InChIKeyVJSKGQBAYDWGAR-UHFFFAOYSA-N
MW424.59 g/mol
LogP2.92
Rot. Bonds8

About 2,4,6-trimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide

2,4,6-trimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 47015636) has the molecular formula C20H28N2O4S2 and a molecular weight of 424.59 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
PubChem CID47015636
Molecular FormulaC20H28N2O4S2
Molecular Weight424.59 g/mol
Exact Mass424.15
IUPAC Name2,4,6-trimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)c(C)c1
InChIInChI=1S/C20H28N2O4S2/c1-14(2)22-27(23,24)13-19-8-6-18(7-9-19)12-21-28(25,26)20-16(4)10-15(3)11-17(20)5/h6-11,14,21-22H,12-13H2,1-5H3
InChIKeyVJSKGQBAYDWGAR-UHFFFAOYSA-N
XLogP2.92
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 55464498
2,4,6-trichloro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 55904772
dimethyl-[[4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium
CID 9191357
N-[(4-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide
CID 668979
N-ethyl-4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]benzamide
CID 55905207
4-cyclohexyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 24563832
N-propan-2-yl-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]methanesulfonamide
CID 18156175
4-[[[4-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]methyl]benzoic acid
CID 122031179
3-(2,5-dimethylphenoxy)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 29290670
2-(3-methylphenoxy)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 24563425
N-[(2S)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668986
N-[(2R)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668985

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide (CID 47015636) is 2,4,6-trimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is VJSKGQBAYDWGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4S2/c1-14(2)22-27(23,24)13-19-8-6-18(7-9-19)12-21-28(25,26)20-16(4)10-15(3)11-17(20)5/h6-11,14,21-22H,12-13H2,1-5H3.
What are the key properties of 2,4,6-trimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide?
2,4,6-trimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 424.59 g/mol, XLogP of 2.92, 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-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 47015636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).