2-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoic acid

C14H14N2O4S — CID 43471408

IUPAC2-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoic acid
SMILESCN(Cc1cccnc1)S(=O)(=O)c1ccccc1C(=O)O
InChIInChI=1S/C14H14N2O4S/c1-16(10-11-5-4-8-15-9-11)21(19,20)13-7-3-2-6-12(13)14(17)18/h2-9H,10H2,1H3,(H,17,18)
InChIKeyMRPHJAOJSVCNDN-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.60
Rot. Bonds5

About 2-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoic acid

2-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoic acid (PubChem CID 43471408) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoic acid
PubChem CID43471408
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name2-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoic acid
SMILESCN(Cc1cccnc1)S(=O)(=O)c1ccccc1C(=O)O
InChIInChI=1S/C14H14N2O4S/c1-16(10-11-5-4-8-15-9-11)21(19,20)13-7-3-2-6-12(13)14(17)18/h2-9H,10H2,1H3,(H,17,18)
InChIKeyMRPHJAOJSVCNDN-UHFFFAOYSA-N
XLogP1.60
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 86922552
N-methyl-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 47121805
N-methyl-9,10-dioxo-N-(pyridin-3-ylmethyl)anthracene-1-sulfonamide
CID 3853066
2-[ethyl(methyl)sulfamoyl]benzoic acid
CID 43263319
2-hydrazinyl-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
CID 43563717
(3-hydroxy-5-methylphenyl) 2-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzenesulfonate
CID 57322853
N-methyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 58150961
2-amino-N,4,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 43563351
2-fluoro-4-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 79178544
2-[methyl-(2-pyridin-3-ylacetyl)amino]benzoic acid
CID 62689152
4-chloro-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47103942
2-[(2-amino-2-oxoethyl)-methylsulfamoyl]benzoic acid
CID 43374078

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoic acid (CID 43471408) is 2-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoic acid is CN(Cc1cccnc1)S(=O)(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoic acid?
The InChIKey is MRPHJAOJSVCNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-16(10-11-5-4-8-15-9-11)21(19,20)13-7-3-2-6-12(13)14(17)18/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 2-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoic acid?
2-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoic acid has a molecular weight of 306.34 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 43471408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).