methyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]benzoate

C17H19NO5S — CID 110756559

IUPACmethyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H19NO5S/c1-12(2)23-13-8-10-14(11-9-13)24(20,21)18-16-7-5-4-6-15(16)17(19)22-3/h4-12,18H,1-3H3
InChIKeyXPAMVHWJAMMOMM-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.06
Rot. Bonds6

About methyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]benzoate

methyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]benzoate (PubChem CID 110756559) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is methyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]benzoate
PubChem CID110756559
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Namemethyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H19NO5S/c1-12(2)23-13-8-10-14(11-9-13)24(20,21)18-16-7-5-4-6-15(16)17(19)22-3/h4-12,18H,1-3H3
InChIKeyXPAMVHWJAMMOMM-UHFFFAOYSA-N
XLogP3.06
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(4-propan-2-yloxyphenyl)sulfonylamino]phenyl]acetamide
CID 113093731
methyl 2-[(4-iodophenyl)sulfonylamino]benzoate
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methyl 2-[(4-hexadecoxyphenyl)sulfonylamino]benzoate
CID 15002142
methyl 2-[[4-(butan-2-ylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 109059083
methyl 2-[[4-(cyclopropanecarbonyl)phenyl]sulfonylamino]benzoate
CID 110424063
[(2S)-3-oxobutan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 30044248
methyl 4-[(2-carbamoylphenyl)sulfamoyl]benzoate
CID 17485240
methyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)benzoate
CID 4793271
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 7371020
phenyl 2-[(4-methylphenyl)sulfonylamino]benzoate
CID 154135516
methyl 2-[(1-methylpyrrol-3-yl)sulfonylamino]benzoate
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N-[2-(2-acetylphenyl)phenyl]-4-methoxybenzenesulfonamide
CID 58597404

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]benzoate?
The IUPAC name of methyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]benzoate (CID 110756559) is methyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]benzoate is COC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of methyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]benzoate?
The InChIKey is XPAMVHWJAMMOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-12(2)23-13-8-10-14(11-9-13)24(20,21)18-16-7-5-4-6-15(16)17(19)22-3/h4-12,18H,1-3H3.
What are the key properties of methyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]benzoate?
methyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]benzoate has a molecular weight of 349.41 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 110756559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).