2-[4-methoxy-3-(pyridazin-3-ylmethylsulfamoyl)phenyl]acetic acid

C14H15N3O5S — CID 154840794

IUPAC2-[4-methoxy-3-(pyridazin-3-ylmethylsulfamoyl)phenyl]acetic acid
SMILESCOc1ccc(CC(=O)O)cc1S(=O)(=O)NCc1cccnn1
InChIInChI=1S/C14H15N3O5S/c1-22-12-5-4-10(8-14(18)19)7-13(12)23(20,21)16-9-11-3-2-6-15-17-11/h2-7,16H,8-9H2,1H3,(H,18,19)
InChIKeyKXPQMQGTNIPPJE-UHFFFAOYSA-N
MW337.36 g/mol
LogP0.59
Rot. Bonds7

About 2-[4-methoxy-3-(pyridazin-3-ylmethylsulfamoyl)phenyl]acetic acid

2-[4-methoxy-3-(pyridazin-3-ylmethylsulfamoyl)phenyl]acetic acid (PubChem CID 154840794) has the molecular formula C14H15N3O5S and a molecular weight of 337.36 g/mol. Its IUPAC name is 2-[4-methoxy-3-(pyridazin-3-ylmethylsulfamoyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-methoxy-3-(pyridazin-3-ylmethylsulfamoyl)phenyl]acetic acid
PubChem CID154840794
Molecular FormulaC14H15N3O5S
Molecular Weight337.36 g/mol
Exact Mass337.07
IUPAC Name2-[4-methoxy-3-(pyridazin-3-ylmethylsulfamoyl)phenyl]acetic acid
SMILESCOc1ccc(CC(=O)O)cc1S(=O)(=O)NCc1cccnn1
InChIInChI=1S/C14H15N3O5S/c1-22-12-5-4-10(8-14(18)19)7-13(12)23(20,21)16-9-11-3-2-6-15-17-11/h2-7,16H,8-9H2,1H3,(H,18,19)
InChIKeyKXPQMQGTNIPPJE-UHFFFAOYSA-N
XLogP0.59
TPSA118.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 28717822
2-[3-(1,3-benzothiazol-7-ylmethylsulfamoyl)-4-methoxyphenyl]acetic acid;formic acid
CID 166597949
2-bromo-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089507
2-amino-4,5-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894665
2-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 56816264
2-[3-[(2-ethyl-6-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47072178
N-benzyl-5-ethyl-2-methoxybenzenesulfonamide
CID 847868
5-chloro-2-methyl-3-(pyridazin-3-ylmethylsulfamoyl)benzoic acid
CID 167946559
2-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060136
2-[3-[(3,4-difluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060127
3-(benzylsulfamoyl)-4-methoxybenzoic acid
CID 693909
5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 110757861

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-(pyridazin-3-ylmethylsulfamoyl)phenyl]acetic acid?
The IUPAC name of 2-[4-methoxy-3-(pyridazin-3-ylmethylsulfamoyl)phenyl]acetic acid (CID 154840794) is 2-[4-methoxy-3-(pyridazin-3-ylmethylsulfamoyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-methoxy-3-(pyridazin-3-ylmethylsulfamoyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-methoxy-3-(pyridazin-3-ylmethylsulfamoyl)phenyl]acetic acid is COc1ccc(CC(=O)O)cc1S(=O)(=O)NCc1cccnn1.
What is the InChIKey of 2-[4-methoxy-3-(pyridazin-3-ylmethylsulfamoyl)phenyl]acetic acid?
The InChIKey is KXPQMQGTNIPPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5S/c1-22-12-5-4-10(8-14(18)19)7-13(12)23(20,21)16-9-11-3-2-6-15-17-11/h2-7,16H,8-9H2,1H3,(H,18,19).
What are the key properties of 2-[4-methoxy-3-(pyridazin-3-ylmethylsulfamoyl)phenyl]acetic acid?
2-[4-methoxy-3-(pyridazin-3-ylmethylsulfamoyl)phenyl]acetic acid has a molecular weight of 337.36 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-(pyridazin-3-ylmethylsulfamoyl)phenyl]acetic acid is sourced from PubChem (CID 154840794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).