methyl 2-[methyl(pyridin-4-yl)sulfamoyl]benzoate

C14H14N2O4S — CID 106934687

IUPACmethyl 2-[methyl(pyridin-4-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)N(C)c1ccncc1
InChIInChI=1S/C14H14N2O4S/c1-16(11-7-9-15-10-8-11)21(18,19)13-6-4-3-5-12(13)14(17)20-2/h3-10H,1-2H3
InChIKeyFCIRUUJNUBOEMC-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.69
Rot. Bonds4

About methyl 2-[methyl(pyridin-4-yl)sulfamoyl]benzoate

methyl 2-[methyl(pyridin-4-yl)sulfamoyl]benzoate (PubChem CID 106934687) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is methyl 2-[methyl(pyridin-4-yl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[methyl(pyridin-4-yl)sulfamoyl]benzoate
PubChem CID106934687
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Namemethyl 2-[methyl(pyridin-4-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)N(C)c1ccncc1
InChIInChI=1S/C14H14N2O4S/c1-16(11-7-9-15-10-8-11)21(18,19)13-6-4-3-5-12(13)14(17)20-2/h3-10H,1-2H3
InChIKeyFCIRUUJNUBOEMC-UHFFFAOYSA-N
XLogP1.69
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl(pyridin-4-yl)sulfamoyl]benzenecarbothioamide
CID 106935868
(2-methoxycarbonylphenyl)sulfonyl-methylcarbamic acid
CID 67904319
N,2-dimethyl-N-pyridin-4-ylbenzenesulfonamide
CID 106937622
(4-methoxycarbonylphenyl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate
CID 42464208
methyl 2-[3-methoxypropyl(methyl)sulfamoyl]benzoate
CID 103628065
methyl 2-[2-methylpropyl(propan-2-yl)sulfamoyl]benzoate
CID 103833460
methyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate
CID 51169901
2-benzoyloxyethyl 2-[methyl(phenyl)sulfamoyl]benzoate
CID 30548140
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[methyl(phenyl)sulfamoyl]benzoate
CID 2577910
methyl 2-[phenyl(1H-pyrrol-2-yl)sulfamoyl]benzoate
CID 70281652
methyl 2-methyl-5-[methyl(phenyl)sulfamoyl]benzoate
CID 95970846
methyl 2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate
CID 79378680

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(pyridin-4-yl)sulfamoyl]benzoate?
The IUPAC name of methyl 2-[methyl(pyridin-4-yl)sulfamoyl]benzoate (CID 106934687) is methyl 2-[methyl(pyridin-4-yl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[methyl(pyridin-4-yl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[methyl(pyridin-4-yl)sulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)N(C)c1ccncc1.
What is the InChIKey of methyl 2-[methyl(pyridin-4-yl)sulfamoyl]benzoate?
The InChIKey is FCIRUUJNUBOEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-16(11-7-9-15-10-8-11)21(18,19)13-6-4-3-5-12(13)14(17)20-2/h3-10H,1-2H3.
What are the key properties of methyl 2-[methyl(pyridin-4-yl)sulfamoyl]benzoate?
methyl 2-[methyl(pyridin-4-yl)sulfamoyl]benzoate has a molecular weight of 306.34 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(pyridin-4-yl)sulfamoyl]benzoate is sourced from PubChem (CID 106934687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).