methyl 4-methyl-3-(pyridin-3-ylsulfonylamino)benzoate

C14H14N2O4S — CID 25038996

IUPACmethyl 4-methyl-3-(pyridin-3-ylsulfonylamino)benzoate
SMILESCOC(=O)c1ccc(C)c(NS(=O)(=O)c2cccnc2)c1
InChIInChI=1S/C14H14N2O4S/c1-10-5-6-11(14(17)20-2)8-13(10)16-21(18,19)12-4-3-7-15-9-12/h3-9,16H,1-2H3
InChIKeyOQROKOYMERZFSM-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.98
Rot. Bonds4

About methyl 4-methyl-3-(pyridin-3-ylsulfonylamino)benzoate

methyl 4-methyl-3-(pyridin-3-ylsulfonylamino)benzoate (PubChem CID 25038996) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is methyl 4-methyl-3-(pyridin-3-ylsulfonylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-(pyridin-3-ylsulfonylamino)benzoate
PubChem CID25038996
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Namemethyl 4-methyl-3-(pyridin-3-ylsulfonylamino)benzoate
SMILESCOC(=O)c1ccc(C)c(NS(=O)(=O)c2cccnc2)c1
InChIInChI=1S/C14H14N2O4S/c1-10-5-6-11(14(17)20-2)8-13(10)16-21(18,19)12-4-3-7-15-9-12/h3-9,16H,1-2H3
InChIKeyOQROKOYMERZFSM-UHFFFAOYSA-N
XLogP1.98
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-(pyridin-3-ylsulfonylamino)benzoic acid
CID 24709903
methyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate
CID 24510050
methyl 3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoate
CID 807062
methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-4-methylbenzoate
CID 99816310
N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide
CID 62105428
methyl 3-[(4-bromo-3-methylphenyl)sulfonylamino]-4-methylbenzoate
CID 2696840
methyl 3-[(2,6-difluorophenyl)sulfonylamino]-4-methylbenzoate
CID 2648322
methyl 4-methyl-3-(2-pyridin-3-ylethylsulfamoyl)benzoate
CID 37265699
methyl 3-(ethylsulfonylamino)-4-methylbenzoate
CID 6466185
methyl 3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-4-methylbenzoate
CID 7938266
methyl 4-methyl-3-[(4-pentylphenyl)sulfonylamino]benzoate
CID 3759462
N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide
CID 3865818

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-(pyridin-3-ylsulfonylamino)benzoate?
The IUPAC name of methyl 4-methyl-3-(pyridin-3-ylsulfonylamino)benzoate (CID 25038996) is methyl 4-methyl-3-(pyridin-3-ylsulfonylamino)benzoate.
What is the SMILES notation for methyl 4-methyl-3-(pyridin-3-ylsulfonylamino)benzoate?
The canonical SMILES for methyl 4-methyl-3-(pyridin-3-ylsulfonylamino)benzoate is COC(=O)c1ccc(C)c(NS(=O)(=O)c2cccnc2)c1.
What is the InChIKey of methyl 4-methyl-3-(pyridin-3-ylsulfonylamino)benzoate?
The InChIKey is OQROKOYMERZFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-10-5-6-11(14(17)20-2)8-13(10)16-21(18,19)12-4-3-7-15-9-12/h3-9,16H,1-2H3.
What are the key properties of methyl 4-methyl-3-(pyridin-3-ylsulfonylamino)benzoate?
methyl 4-methyl-3-(pyridin-3-ylsulfonylamino)benzoate has a molecular weight of 306.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-(pyridin-3-ylsulfonylamino)benzoate is sourced from PubChem (CID 25038996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).