2-[(3-methyl-4-pyridinyl)sulfamoyl]acetic acid

C8H10N2O4S — CID 63671711

IUPAC2-[(3-methyl-4-pyridinyl)sulfamoyl]acetic acid
SMILESCc1cnccc1NS(=O)(=O)CC(=O)O
InChIInChI=1S/C8H10N2O4S/c1-6-4-9-3-2-7(6)10-15(13,14)5-8(11)12/h2-4H,5H2,1H3,(H,9,10)(H,11,12)
InChIKeyOXPBDDOIRIPXBF-UHFFFAOYSA-N
MW230.24 g/mol
LogP0.22
Rot. Bonds4

About 2-[(3-methyl-4-pyridinyl)sulfamoyl]acetic acid

2-[(3-methyl-4-pyridinyl)sulfamoyl]acetic acid (PubChem CID 63671711) has the molecular formula C8H10N2O4S and a molecular weight of 230.24 g/mol. Its IUPAC name is 2-[(3-methyl-4-pyridinyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(3-methyl-4-pyridinyl)sulfamoyl]acetic acid
PubChem CID63671711
Molecular FormulaC8H10N2O4S
Molecular Weight230.24 g/mol
Exact Mass230.04
IUPAC Name2-[(3-methyl-4-pyridinyl)sulfamoyl]acetic acid
SMILESCc1cnccc1NS(=O)(=O)CC(=O)O
InChIInChI=1S/C8H10N2O4S/c1-6-4-9-3-2-7(6)10-15(13,14)5-8(11)12/h2-4H,5H2,1H3,(H,9,10)(H,11,12)
InChIKeyOXPBDDOIRIPXBF-UHFFFAOYSA-N
XLogP0.22
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methyl-3-pyridinyl)sulfamoyl]propanoic acid
CID 63327614
3-(methylamino)-N-(3-methyl-4-pyridinyl)propane-1-sulfonamide
CID 106065507
4-methyl-3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid
CID 63669848
4-acetyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63670374
3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid
CID 63672038
4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 66524316
4-[(3-methyl-4-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 63672039
3-(carboxymethylsulfonylamino)-4-methylbenzoic acid
CID 43715539
N-(3-methyl-4-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106065488
4-methyl-4-[(3-methyl-4-pyridinyl)carbamoylamino]pentanoic acid
CID 122088445
2-chloro-N-(3-methyl-4-pyridinyl)acetamide
CID 63669851
2-[(5-methyl-3-pyridinyl)sulfamoyl]acetic acid
CID 107584611

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-4-pyridinyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[(3-methyl-4-pyridinyl)sulfamoyl]acetic acid (CID 63671711) is 2-[(3-methyl-4-pyridinyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[(3-methyl-4-pyridinyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[(3-methyl-4-pyridinyl)sulfamoyl]acetic acid is Cc1cnccc1NS(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[(3-methyl-4-pyridinyl)sulfamoyl]acetic acid?
The InChIKey is OXPBDDOIRIPXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c1-6-4-9-3-2-7(6)10-15(13,14)5-8(11)12/h2-4H,5H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-[(3-methyl-4-pyridinyl)sulfamoyl]acetic acid?
2-[(3-methyl-4-pyridinyl)sulfamoyl]acetic acid has a molecular weight of 230.24 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-4-pyridinyl)sulfamoyl]acetic acid is sourced from PubChem (CID 63671711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).