methyl 3-[(2-methoxy-5-propan-2-yl-3-pyridinyl)sulfamoyl]benzoate

C17H20N2O5S — CID 71041596

IUPACmethyl 3-[(2-methoxy-5-propan-2-yl-3-pyridinyl)sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)Nc2cc(C(C)C)cnc2OC)c1
InChIInChI=1S/C17H20N2O5S/c1-11(2)13-9-15(16(23-3)18-10-13)19-25(21,22)14-7-5-6-12(8-14)17(20)24-4/h5-11,19H,1-4H3
InChIKeyLWZXSNGCZNCPGP-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.80
Rot. Bonds6

About methyl 3-[(2-methoxy-5-propan-2-yl-3-pyridinyl)sulfamoyl]benzoate

methyl 3-[(2-methoxy-5-propan-2-yl-3-pyridinyl)sulfamoyl]benzoate (PubChem CID 71041596) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is methyl 3-[(2-methoxy-5-propan-2-yl-3-pyridinyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(2-methoxy-5-propan-2-yl-3-pyridinyl)sulfamoyl]benzoate
PubChem CID71041596
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Namemethyl 3-[(2-methoxy-5-propan-2-yl-3-pyridinyl)sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)Nc2cc(C(C)C)cnc2OC)c1
InChIInChI=1S/C17H20N2O5S/c1-11(2)13-9-15(16(23-3)18-10-13)19-25(21,22)14-7-5-6-12(8-14)17(20)24-4/h5-11,19H,1-4H3
InChIKeyLWZXSNGCZNCPGP-UHFFFAOYSA-N
XLogP2.80
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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methyl 3-[(4-aminophenyl)sulfamoyl]benzoate
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methyl 3-[(3,5-dimethoxyphenyl)sulfamoyl]benzoate
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sodium methyl 3-[(3-methoxycarbonylphenyl)sulfonylsulfamoyl]benzoate
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propan-2-yl 3-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 35468470
3,4,5-trimethoxy-2-[(3-methoxycarbonylphenyl)sulfonylamino]benzoic acid
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methyl 3-[(4-chloro-2-methoxy-5-methylphenyl)sulfamoyl]benzoate
CID 31700482
methyl 3-[(6-chloro-2-pyridinyl)sulfamoyl]benzoate
CID 104821299
N-(5-bromo-2-methoxy-3-pyridinyl)benzenesulfonamide
CID 59859943
methyl 3-[[2-(2,2,2-trifluoroethoxy)phenyl]sulfamoyl]benzoate
CID 25331588

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methoxy-5-propan-2-yl-3-pyridinyl)sulfamoyl]benzoate?
The IUPAC name of methyl 3-[(2-methoxy-5-propan-2-yl-3-pyridinyl)sulfamoyl]benzoate (CID 71041596) is methyl 3-[(2-methoxy-5-propan-2-yl-3-pyridinyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 3-[(2-methoxy-5-propan-2-yl-3-pyridinyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 3-[(2-methoxy-5-propan-2-yl-3-pyridinyl)sulfamoyl]benzoate is COC(=O)c1cccc(S(=O)(=O)Nc2cc(C(C)C)cnc2OC)c1.
What is the InChIKey of methyl 3-[(2-methoxy-5-propan-2-yl-3-pyridinyl)sulfamoyl]benzoate?
The InChIKey is LWZXSNGCZNCPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-11(2)13-9-15(16(23-3)18-10-13)19-25(21,22)14-7-5-6-12(8-14)17(20)24-4/h5-11,19H,1-4H3.
What are the key properties of methyl 3-[(2-methoxy-5-propan-2-yl-3-pyridinyl)sulfamoyl]benzoate?
methyl 3-[(2-methoxy-5-propan-2-yl-3-pyridinyl)sulfamoyl]benzoate has a molecular weight of 364.42 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methoxy-5-propan-2-yl-3-pyridinyl)sulfamoyl]benzoate is sourced from PubChem (CID 71041596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).