methyl 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate

C16H17NO5S — CID 36525556

IUPACmethyl 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)c(C)c1
InChIInChI=1S/C16H17NO5S/c1-11-10-12(16(18)22-3)4-9-15(11)17-23(19,20)14-7-5-13(21-2)6-8-14/h4-10,17H,1-3H3
InChIKeyYINJWGIQOFAXCU-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.59
Rot. Bonds5

About methyl 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate

methyl 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate (PubChem CID 36525556) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is methyl 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate
PubChem CID36525556
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Namemethyl 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)c(C)c1
InChIInChI=1S/C16H17NO5S/c1-11-10-12(16(18)22-3)4-9-15(11)17-23(19,20)14-7-5-13(21-2)6-8-14/h4-10,17H,1-3H3
InChIKeyYINJWGIQOFAXCU-UHFFFAOYSA-N
XLogP2.59
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-methyl-4-[(4-methylsulfonylphenyl)sulfonylamino]benzoate
CID 25469548
4-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-propan-2-ylbenzamide
CID 99842338
methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 3707700
methyl 4-fluoro-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 33492766
methyl 4-[(4-bromo-3-methylphenyl)sulfonylamino]-3-methylbenzoate
CID 24651251
methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]sulfamoyl]benzoate
CID 24510176
methyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate
CID 24510050
N-[(4-methoxyphenyl)methyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062773
N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 4995778
4-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 132671525
ethane;methyl 3,4-bis[(4-methylphenyl)sulfonylamino]benzoate
CID 144649558
methyl 3-[[3-methyl-4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 19061768

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate?
The IUPAC name of methyl 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate (CID 36525556) is methyl 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate.
What is the SMILES notation for methyl 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate?
The canonical SMILES for methyl 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate is COC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)c(C)c1.
What is the InChIKey of methyl 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate?
The InChIKey is YINJWGIQOFAXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-11-10-12(16(18)22-3)4-9-15(11)17-23(19,20)14-7-5-13(21-2)6-8-14/h4-10,17H,1-3H3.
What are the key properties of methyl 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate?
methyl 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate has a molecular weight of 335.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate is sourced from PubChem (CID 36525556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).