4-[methyl-(4-methylphenyl)sulfonylsulfamoyl]butyl 2-methylprop-2-enoate

C16H23NO6S2 — CID 23554070

IUPAC4-[methyl-(4-methylphenyl)sulfonylsulfamoyl]butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCS(=O)(=O)N(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H23NO6S2/c1-13(2)16(18)23-11-5-6-12-24(19,20)17(4)25(21,22)15-9-7-14(3)8-10-15/h7-10H,1,5-6,11-12H2,2-4H3
InChIKeyOYIZBPGLENDCGQ-UHFFFAOYSA-N
MW389.50 g/mol
LogP1.84
Rot. Bonds9

About 4-[methyl-(4-methylphenyl)sulfonylsulfamoyl]butyl 2-methylprop-2-enoate

4-[methyl-(4-methylphenyl)sulfonylsulfamoyl]butyl 2-methylprop-2-enoate (PubChem CID 23554070) has the molecular formula C16H23NO6S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-[methyl-(4-methylphenyl)sulfonylsulfamoyl]butyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-[methyl-(4-methylphenyl)sulfonylsulfamoyl]butyl 2-methylprop-2-enoate
PubChem CID23554070
Molecular FormulaC16H23NO6S2
Molecular Weight389.50 g/mol
Exact Mass389.10
IUPAC Name4-[methyl-(4-methylphenyl)sulfonylsulfamoyl]butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCS(=O)(=O)N(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H23NO6S2/c1-13(2)16(18)23-11-5-6-12-24(19,20)17(4)25(21,22)15-9-7-14(3)8-10-15/h7-10H,1,5-6,11-12H2,2-4H3
InChIKeyOYIZBPGLENDCGQ-UHFFFAOYSA-N
XLogP1.84
TPSA97.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

10-(2-methylprop-2-enoyloxy)decyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate
CID 150357429
8-(4-hydroxyphenyl)sulfonyloctyl 2-methylprop-2-enoate
CID 19745508
8-(4-hydroxy-3-methylphenyl)sulfonyloctyl 2-methylprop-2-enoate
CID 19745500
6-(2-methylprop-2-enoyloxy)hexane-1-sulfonate
CID 140800705
2-[(4-aminophenyl)sulfonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate
CID 123993867
dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propan-2-ylazanium;4-methylbenzenesulfonate
CID 139767856
8-(4-methylphenoxy)octyl 6-(2-methylprop-2-enoyloxy)hexanoate
CID 58019571
ethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate
CID 12963006
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
2-(2-methylprop-2-enoyloxy)ethyl 4-methylbenzoate
CID 20723903
6-(4-hydroxy-3-propan-2-ylphenyl)sulfonylhexyl 2-methylprop-2-enoate
CID 19745505

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(4-methylphenyl)sulfonylsulfamoyl]butyl 2-methylprop-2-enoate?
The IUPAC name of 4-[methyl-(4-methylphenyl)sulfonylsulfamoyl]butyl 2-methylprop-2-enoate (CID 23554070) is 4-[methyl-(4-methylphenyl)sulfonylsulfamoyl]butyl 2-methylprop-2-enoate.
What is the SMILES notation for 4-[methyl-(4-methylphenyl)sulfonylsulfamoyl]butyl 2-methylprop-2-enoate?
The canonical SMILES for 4-[methyl-(4-methylphenyl)sulfonylsulfamoyl]butyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCS(=O)(=O)N(C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-[methyl-(4-methylphenyl)sulfonylsulfamoyl]butyl 2-methylprop-2-enoate?
The InChIKey is OYIZBPGLENDCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO6S2/c1-13(2)16(18)23-11-5-6-12-24(19,20)17(4)25(21,22)15-9-7-14(3)8-10-15/h7-10H,1,5-6,11-12H2,2-4H3.
What are the key properties of 4-[methyl-(4-methylphenyl)sulfonylsulfamoyl]butyl 2-methylprop-2-enoate?
4-[methyl-(4-methylphenyl)sulfonylsulfamoyl]butyl 2-methylprop-2-enoate has a molecular weight of 389.50 g/mol, XLogP of 1.84, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(4-methylphenyl)sulfonylsulfamoyl]butyl 2-methylprop-2-enoate is sourced from PubChem (CID 23554070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).