3-[(2-methyl-3-pyridinyl)sulfamoylmethyl]benzoic acid

C14H14N2O4S — CID 79042788

IUPAC3-[(2-methyl-3-pyridinyl)sulfamoylmethyl]benzoic acid
SMILESCc1ncccc1NS(=O)(=O)Cc1cccc(C(=O)O)c1
InChIInChI=1S/C14H14N2O4S/c1-10-13(6-3-7-15-10)16-21(19,20)9-11-4-2-5-12(8-11)14(17)18/h2-8,16H,9H2,1H3,(H,17,18)
InChIKeyVFRDCMFOVHNGJD-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.03
Rot. Bonds5

About 3-[(2-methyl-3-pyridinyl)sulfamoylmethyl]benzoic acid

3-[(2-methyl-3-pyridinyl)sulfamoylmethyl]benzoic acid (PubChem CID 79042788) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 3-[(2-methyl-3-pyridinyl)sulfamoylmethyl]benzoic acid.

Molecular Properties

Compound Name3-[(2-methyl-3-pyridinyl)sulfamoylmethyl]benzoic acid
PubChem CID79042788
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name3-[(2-methyl-3-pyridinyl)sulfamoylmethyl]benzoic acid
SMILESCc1ncccc1NS(=O)(=O)Cc1cccc(C(=O)O)c1
InChIInChI=1S/C14H14N2O4S/c1-10-13(6-3-7-15-10)16-21(19,20)9-11-4-2-5-12(8-11)14(17)18/h2-8,16H,9H2,1H3,(H,17,18)
InChIKeyVFRDCMFOVHNGJD-UHFFFAOYSA-N
XLogP2.03
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chloro-3-pyridinyl)sulfamoylmethyl]benzoic acid
CID 83165567
3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoylmethyl]benzoic acid
CID 63280975
3-[(6-fluoro-2-pyridinyl)sulfamoylmethyl]benzoic acid
CID 116812710
3-[(4-fluorophenyl)sulfamoylmethyl]benzoic acid
CID 43362487
3-(benzylsulfamoylmethyl)benzoic acid
CID 43362532
3-(3-hydroxypropylsulfamoylmethyl)benzoic acid
CID 43499122
3-(ethylsulfonylmethyl)benzoic acid
CID 43386055
3-(pyridazin-3-ylmethylsulfamoylmethyl)benzoic acid
CID 106894941
3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoylmethyl]benzoic acid
CID 107641494
3-[(2-methoxy-2-oxoethyl)sulfamoylmethyl]benzoic acid
CID 43362438
3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoylmethyl]benzoic acid
CID 107848248
1-chloro-N-(2-methyl-3-pyridinyl)methanesulfonamide
CID 79043239

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-3-pyridinyl)sulfamoylmethyl]benzoic acid?
The IUPAC name of 3-[(2-methyl-3-pyridinyl)sulfamoylmethyl]benzoic acid (CID 79042788) is 3-[(2-methyl-3-pyridinyl)sulfamoylmethyl]benzoic acid.
What is the SMILES notation for 3-[(2-methyl-3-pyridinyl)sulfamoylmethyl]benzoic acid?
The canonical SMILES for 3-[(2-methyl-3-pyridinyl)sulfamoylmethyl]benzoic acid is Cc1ncccc1NS(=O)(=O)Cc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(2-methyl-3-pyridinyl)sulfamoylmethyl]benzoic acid?
The InChIKey is VFRDCMFOVHNGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-10-13(6-3-7-15-10)16-21(19,20)9-11-4-2-5-12(8-11)14(17)18/h2-8,16H,9H2,1H3,(H,17,18).
What are the key properties of 3-[(2-methyl-3-pyridinyl)sulfamoylmethyl]benzoic acid?
3-[(2-methyl-3-pyridinyl)sulfamoylmethyl]benzoic acid has a molecular weight of 306.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-3-pyridinyl)sulfamoylmethyl]benzoic acid is sourced from PubChem (CID 79042788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).