methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate

C16H17NO6S — CID 3707700

IUPACmethyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C16H17NO6S/c1-21-12-5-7-13(8-6-12)24(19,20)17-14-10-11(16(18)23-3)4-9-15(14)22-2/h4-10,17H,1-3H3
InChIKeyAWOBNFLQJMXKNX-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.29
Rot. Bonds6

About methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate

methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate (PubChem CID 3707700) has the molecular formula C16H17NO6S and a molecular weight of 351.38 g/mol. Its IUPAC name is methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate
PubChem CID3707700
Molecular FormulaC16H17NO6S
Molecular Weight351.38 g/mol
Exact Mass351.08
IUPAC Namemethyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C16H17NO6S/c1-21-12-5-7-13(8-6-12)24(19,20)17-14-10-11(16(18)23-3)4-9-15(14)22-2/h4-10,17H,1-3H3
InChIKeyAWOBNFLQJMXKNX-UHFFFAOYSA-N
XLogP2.29
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(benzenesulfonamido)-4-methoxybenzoate
CID 3804370
methyl 3-[(4-tert-butylphenyl)sulfonylamino]-4-methoxybenzoate
CID 3798192
methyl 4-fluoro-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 33492766
methyl 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate
CID 36525556
4-[(2,5-dimethoxyphenyl)sulfamoyl]benzoate
CID 4060147
methyl 3-(methanesulfonamido)-4-methoxybenzoate
CID 5303011
3-[[4-[4-[(5-carboxy-2-methoxyphenyl)sulfamoyl]phenyl]phenyl]sulfonylamino]-4-methoxybenzoic acid
CID 11308016
methyl 4-methoxy-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate
CID 3408360
4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 4126284
methyl 4-[(4-fluorophenyl)sulfonylamino]-3-methoxybenzoate
CID 18629030
dimethyl 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]benzene-1,4-dicarboxylate
CID 92510603
N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 82156500

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate?
The IUPAC name of methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate (CID 3707700) is methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate is COC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(OC)cc2)c1.
What is the InChIKey of methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate?
The InChIKey is AWOBNFLQJMXKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO6S/c1-21-12-5-7-13(8-6-12)24(19,20)17-14-10-11(16(18)23-3)4-9-15(14)22-2/h4-10,17H,1-3H3.
What are the key properties of methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate?
methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate has a molecular weight of 351.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 3707700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).