methyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate

C16H17NO4S — CID 9273487

IUPACmethyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1
InChIInChI=1S/C16H17NO4S/c1-12-7-9-14(10-8-12)17(2)22(19,20)15-6-4-5-13(11-15)16(18)21-3/h4-11H,1-3H3
InChIKeyLHXKTILASKFLCG-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.61
Rot. Bonds4

About methyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate

methyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate (PubChem CID 9273487) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is methyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
PubChem CID9273487
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Namemethyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1
InChIInChI=1S/C16H17NO4S/c1-12-7-9-14(10-8-12)17(2)22(19,20)15-6-4-5-13(11-15)16(18)21-3/h4-11H,1-3H3
InChIKeyLHXKTILASKFLCG-UHFFFAOYSA-N
XLogP2.61
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 8871525
(4-chlorophenyl) 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 2667235
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 2604574
N-tert-butyl-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2670988
N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-phenylbenzamide
CID 26536520
[2-(methylcarbamoylamino)-2-oxoethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 2604550
(4-methylphenyl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577471
[2-(4-methylphenyl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 32698494
(3-methylphenyl) 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 7901124
[1-(N-methylanilino)-1-oxopropan-2-yl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 42970514
N-methyl-N-(4-methylphenyl)-3-[(pyridine-4-carbonylamino)carbamoyl]benzenesulfonamide
CID 25163438
N-[2-(dimethylamino)-2-oxoethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 9480630

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate?
The IUPAC name of methyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate (CID 9273487) is methyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate is COC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1.
What is the InChIKey of methyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate?
The InChIKey is LHXKTILASKFLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-12-7-9-14(10-8-12)17(2)22(19,20)15-6-4-5-13(11-15)16(18)21-3/h4-11H,1-3H3.
What are the key properties of methyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate?
methyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate has a molecular weight of 319.38 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 9273487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).