propyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate

C19H23NO4S — CID 2227574

IUPACpropyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
SMILESCCCOC(=O)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C19H23NO4S/c1-5-10-24-19(21)16-6-8-17(9-7-16)20-25(22,23)18-14(3)11-13(2)12-15(18)4/h6-9,11-12,20H,5,10H2,1-4H3
InChIKeyFJLKYIHTLYUPFT-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.98
Rot. Bonds6

About propyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate

propyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate (PubChem CID 2227574) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is propyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namepropyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
PubChem CID2227574
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Namepropyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
SMILESCCCOC(=O)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C19H23NO4S/c1-5-10-24-19(21)16-6-8-17(9-7-16)20-25(22,23)18-14(3)11-13(2)12-15(18)4/h6-9,11-12,20H,5,10H2,1-4H3
InChIKeyFJLKYIHTLYUPFT-UHFFFAOYSA-N
XLogP3.98
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 4-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 22774734
propyl 4-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 2842703
propyl 4-(1H-pyrrol-3-ylsulfonylamino)benzoate
CID 43624126
propyl 4-(2-methylpropylsulfonylamino)benzoate
CID 62999829
N-tert-butyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
CID 24663110
N-[4-(hydroxymethyl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 64795077
2-[(4-propoxycarbonylphenyl)sulfamoyl]propanoic acid
CID 61454647
propyl 4-(cyclopropylsulfamoylamino)benzoate
CID 104516933
butyl 4-[(4-tert-butylphenyl)sulfonylamino]benzoate
CID 22774750
ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzoate
CID 169371543
butyl 4-(chloromethylsulfonylamino)benzoate
CID 55245248
ethyl 4-[[2,6-dimethyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]benzoate
CID 22695222

Frequently Asked Questions

What is the IUPAC name of propyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate?
The IUPAC name of propyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate (CID 2227574) is propyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for propyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate?
The canonical SMILES for propyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate is CCCOC(=O)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of propyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate?
The InChIKey is FJLKYIHTLYUPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-5-10-24-19(21)16-6-8-17(9-7-16)20-25(22,23)18-14(3)11-13(2)12-15(18)4/h6-9,11-12,20H,5,10H2,1-4H3.
What are the key properties of propyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate?
propyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate has a molecular weight of 361.46 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 2227574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).