propan-2-yl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate

C18H21NO5S — CID 43004476

IUPACpropan-2-yl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OC(C)C)cc1
InChIInChI=1S/C18H21NO5S/c1-13(2)24-18(20)14-9-11-15(12-10-14)25(21,22)19(3)16-7-5-6-8-17(16)23-4/h5-13H,1-4H3
InChIKeyVVMJSCTXPVWFIX-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.09
Rot. Bonds6

About propan-2-yl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate

propan-2-yl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate (PubChem CID 43004476) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is propan-2-yl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
PubChem CID43004476
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC Namepropan-2-yl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OC(C)C)cc1
InChIInChI=1S/C18H21NO5S/c1-13(2)24-18(20)14-9-11-15(12-10-14)25(21,22)19(3)16-7-5-6-8-17(16)23-4/h5-13H,1-4H3
InChIKeyVVMJSCTXPVWFIX-UHFFFAOYSA-N
XLogP3.09
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2595340
(2-oxo-1,2-diphenylethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 4599949
[(2S)-1-anilino-1-oxopropan-2-yl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2595310
[1-(4-ethylanilino)-1-oxopropan-2-yl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 42963469
N-methoxy-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 17476225
ethyl 5-[2-[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 3588356
[2-(N-methylanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2434865
(4-cyanophenyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 18074381
N-(2-methoxyphenyl)-N-methyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 27670349
(3-methylphenyl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 18205883
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 5218406
(2-butoxy-2-oxoethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 16569078

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
The IUPAC name of propan-2-yl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate (CID 43004476) is propan-2-yl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate.
What is the SMILES notation for propan-2-yl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
The canonical SMILES for propan-2-yl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate is COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
The InChIKey is VVMJSCTXPVWFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-13(2)24-18(20)14-9-11-15(12-10-14)25(21,22)19(3)16-7-5-6-8-17(16)23-4/h5-13H,1-4H3.
What are the key properties of propan-2-yl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
propan-2-yl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate has a molecular weight of 363.44 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate is sourced from PubChem (CID 43004476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).