(1-cyanoindolizin-2-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate

C24H19N3O5S — CID 16617004

IUPAC(1-cyanoindolizin-2-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCc2cn3ccccc3c2C#N)cc1
InChIInChI=1S/C24H19N3O5S/c1-31-18-9-11-19(12-10-18)33(29,30)26-22-7-3-2-6-20(22)24(28)32-16-17-15-27-13-5-4-8-23(27)21(17)14-25/h2-13,15,26H,16H2,1H3
InChIKeyFFJOWUFWAURBHB-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.98
Rot. Bonds7

About (1-cyanoindolizin-2-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate

(1-cyanoindolizin-2-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate (PubChem CID 16617004) has the molecular formula C24H19N3O5S and a molecular weight of 461.50 g/mol. Its IUPAC name is (1-cyanoindolizin-2-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name(1-cyanoindolizin-2-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate
PubChem CID16617004
Molecular FormulaC24H19N3O5S
Molecular Weight461.50 g/mol
Exact Mass461.10
IUPAC Name(1-cyanoindolizin-2-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCc2cn3ccccc3c2C#N)cc1
InChIInChI=1S/C24H19N3O5S/c1-31-18-9-11-19(12-10-18)33(29,30)26-22-7-3-2-6-20(22)24(28)32-16-17-15-27-13-5-4-8-23(27)21(17)14-25/h2-13,15,26H,16H2,1H3
InChIKeyFFJOWUFWAURBHB-UHFFFAOYSA-N
XLogP3.98
TPSA109.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1-cyanoindolizin-2-yl)methyl 2,3-dimethoxybenzoate
CID 16616910
(1-cyanoindolizin-2-yl)methyl 4-(butan-2-ylsulfamoyl)benzoate
CID 42936749
(1-cyanoindolizin-2-yl)methyl 2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 42936714
(1-cyanoindolizin-2-yl)methyl (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate
CID 16617093
2-[(1-cyanoindolizin-2-yl)methoxy]-4-methoxybenzamide
CID 47019616
(1-cyanoindolizin-2-yl)methyl pyridine-2-carboxylate
CID 18148882
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 16617005
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 16619794
(1-cyanoindolizin-2-yl)methyl 3-bromo-4-ethoxy-5-methoxybenzoate
CID 16617055
(1-cyanoindolizin-2-yl)methyl 1-benzyltriazole-4-carboxylate
CID 55640628
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate
CID 2553219
N-[2-(2-acetylphenyl)phenyl]-4-methoxybenzenesulfonamide
CID 58597404

Frequently Asked Questions

What is the IUPAC name of (1-cyanoindolizin-2-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate?
The IUPAC name of (1-cyanoindolizin-2-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate (CID 16617004) is (1-cyanoindolizin-2-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate.
What is the SMILES notation for (1-cyanoindolizin-2-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate?
The canonical SMILES for (1-cyanoindolizin-2-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate is COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCc2cn3ccccc3c2C#N)cc1.
What is the InChIKey of (1-cyanoindolizin-2-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate?
The InChIKey is FFJOWUFWAURBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O5S/c1-31-18-9-11-19(12-10-18)33(29,30)26-22-7-3-2-6-20(22)24(28)32-16-17-15-27-13-5-4-8-23(27)21(17)14-25/h2-13,15,26H,16H2,1H3.
What are the key properties of (1-cyanoindolizin-2-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate?
(1-cyanoindolizin-2-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate has a molecular weight of 461.50 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyanoindolizin-2-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 16617004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).