4-[(4,6-dimethyl-2-pyridinyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid

C13H14N2O4S2 — CID 114931977

IUPAC4-[(4,6-dimethyl-2-pyridinyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1cc(C)nc(NS(=O)(=O)c2cc(C(=O)O)sc2C)c1
InChIInChI=1S/C13H14N2O4S2/c1-7-4-8(2)14-12(5-7)15-21(18,19)11-6-10(13(16)17)20-9(11)3/h4-6H,1-3H3,(H,14,15)(H,16,17)
InChIKeyVSEVGABYQKKRSB-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.57
Rot. Bonds4

About 4-[(4,6-dimethyl-2-pyridinyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid

4-[(4,6-dimethyl-2-pyridinyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid (PubChem CID 114931977) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[(4,6-dimethyl-2-pyridinyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4,6-dimethyl-2-pyridinyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
PubChem CID114931977
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Name4-[(4,6-dimethyl-2-pyridinyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1cc(C)nc(NS(=O)(=O)c2cc(C(=O)O)sc2C)c1
InChIInChI=1S/C13H14N2O4S2/c1-7-4-8(2)14-12(5-7)15-21(18,19)11-6-10(13(16)17)20-9(11)3/h4-6H,1-3H3,(H,14,15)(H,16,17)
InChIKeyVSEVGABYQKKRSB-UHFFFAOYSA-N
XLogP2.57
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid
CID 55201517
4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 104617455
4-[(4-iodophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63327978
4-[[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 136530660
4-[(2-fluorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63327927
5-bromo-4-[(4-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43173260
(4,6-dimethyl-2-pyridinyl)sulfamic acid
CID 45096800
5-bromo-N-(4,6-dimethyl-2-pyridinyl)thiophene-2-sulfonamide chloride
CID 53313303
4-[2-(methanesulfonamido)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328601
5-methyl-4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 63327974
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 63328239
N-(4,6-dimethyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106085927

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethyl-2-pyridinyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-[(4,6-dimethyl-2-pyridinyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid (CID 114931977) is 4-[(4,6-dimethyl-2-pyridinyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(4,6-dimethyl-2-pyridinyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[(4,6-dimethyl-2-pyridinyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid is Cc1cc(C)nc(NS(=O)(=O)c2cc(C(=O)O)sc2C)c1.
What is the InChIKey of 4-[(4,6-dimethyl-2-pyridinyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The InChIKey is VSEVGABYQKKRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c1-7-4-8(2)14-12(5-7)15-21(18,19)11-6-10(13(16)17)20-9(11)3/h4-6H,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 4-[(4,6-dimethyl-2-pyridinyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
4-[(4,6-dimethyl-2-pyridinyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid has a molecular weight of 326.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethyl-2-pyridinyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 114931977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).