methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate

C16H17NO5S — CID 8871525

IUPACmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(OC)cc2)c1
InChIInChI=1S/C16H17NO5S/c1-17(13-7-9-14(21-2)10-8-13)23(19,20)15-6-4-5-12(11-15)16(18)22-3/h4-11H,1-3H3
InChIKeyDPLQVKMGWBLVHV-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.31
Rot. Bonds5

About methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate

methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate (PubChem CID 8871525) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
PubChem CID8871525
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Namemethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(OC)cc2)c1
InChIInChI=1S/C16H17NO5S/c1-17(13-7-9-14(21-2)10-8-13)23(19,20)15-6-4-5-12(11-15)16(18)22-3/h4-11H,1-3H3
InChIKeyDPLQVKMGWBLVHV-UHFFFAOYSA-N
XLogP2.31
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 9273487
propan-2-yl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 18098378
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 51156149
3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 2572195
(3-methylphenyl) 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 7901124
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide
CID 30600851
3-hydroxy-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 81258864
furan-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2683151
methyl 3-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]benzoate
CID 31763548
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylethyl)benzamide
CID 4802997
N-cyclohexyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2598297
N-(3-aminopropyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 119407187

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate?
The IUPAC name of methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate (CID 8871525) is methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate.
What is the SMILES notation for methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate?
The canonical SMILES for methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate is COC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(OC)cc2)c1.
What is the InChIKey of methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate?
The InChIKey is DPLQVKMGWBLVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-17(13-7-9-14(21-2)10-8-13)23(19,20)15-6-4-5-12(11-15)16(18)22-3/h4-11H,1-3H3.
What are the key properties of methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate?
methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate has a molecular weight of 335.38 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate is sourced from PubChem (CID 8871525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).