2-[5-methoxy-2-(pyrrol-1-ylsulfamoyl)phenyl]acetic acid

C13H14N2O5S — CID 79084888

IUPAC2-[5-methoxy-2-(pyrrol-1-ylsulfamoyl)phenyl]acetic acid
SMILESCOc1ccc(S(=O)(=O)Nn2cccc2)c(CC(=O)O)c1
InChIInChI=1S/C13H14N2O5S/c1-20-11-4-5-12(10(8-11)9-13(16)17)21(18,19)14-15-6-2-3-7-15/h2-8,14H,9H2,1H3,(H,16,17)
InChIKeySAEXNRIWLGLMFG-UHFFFAOYSA-N
MW310.33 g/mol
LogP1.06
Rot. Bonds6

About 2-[5-methoxy-2-(pyrrol-1-ylsulfamoyl)phenyl]acetic acid

2-[5-methoxy-2-(pyrrol-1-ylsulfamoyl)phenyl]acetic acid (PubChem CID 79084888) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-[5-methoxy-2-(pyrrol-1-ylsulfamoyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[5-methoxy-2-(pyrrol-1-ylsulfamoyl)phenyl]acetic acid
PubChem CID79084888
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC Name2-[5-methoxy-2-(pyrrol-1-ylsulfamoyl)phenyl]acetic acid
SMILESCOc1ccc(S(=O)(=O)Nn2cccc2)c(CC(=O)O)c1
InChIInChI=1S/C13H14N2O5S/c1-20-11-4-5-12(10(8-11)9-13(16)17)21(18,19)14-15-6-2-3-7-15/h2-8,14H,9H2,1H3,(H,16,17)
InChIKeySAEXNRIWLGLMFG-UHFFFAOYSA-N
XLogP1.06
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(dimethylsulfamoyl)-5-methoxyphenyl]acetic acid
CID 16775359
2-[2-(2-cyanopropylsulfamoyl)-5-methoxyphenyl]acetic acid
CID 62666374
2-[2-(1H-imidazol-2-ylsulfamoyl)-5-methoxyphenyl]acetic acid
CID 63563903
2-[5-methoxy-2-(thiolan-3-ylsulfamoyl)phenyl]acetic acid
CID 103062531
2-[5-methoxy-2-[methyl(propyl)sulfamoyl]phenyl]acetic acid
CID 43659129
methyl 2-[2-(2,2-dimethylpropanoylsulfamoyl)-5-methoxyphenyl]acetate
CID 154760397
2-(hydroxymethyl)-4-methoxybenzenesulfonamide
CID 67168933
2-[2-[ethyl(propyl)sulfamoyl]-5-methoxyphenyl]acetic acid
CID 43659128
(2R)-2-[[2-[2-(benzylamino)-2-oxoethyl]-4-methoxyphenyl]sulfonylamino]-3-methylbutanoic acid
CID 67584999
2-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]acetic acid
CID 69449790
2-(3-methoxyphenyl)-N-pyrrol-1-ylacetamide
CID 123679557
2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid
CID 168876495

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-(pyrrol-1-ylsulfamoyl)phenyl]acetic acid?
The IUPAC name of 2-[5-methoxy-2-(pyrrol-1-ylsulfamoyl)phenyl]acetic acid (CID 79084888) is 2-[5-methoxy-2-(pyrrol-1-ylsulfamoyl)phenyl]acetic acid.
What is the SMILES notation for 2-[5-methoxy-2-(pyrrol-1-ylsulfamoyl)phenyl]acetic acid?
The canonical SMILES for 2-[5-methoxy-2-(pyrrol-1-ylsulfamoyl)phenyl]acetic acid is COc1ccc(S(=O)(=O)Nn2cccc2)c(CC(=O)O)c1.
What is the InChIKey of 2-[5-methoxy-2-(pyrrol-1-ylsulfamoyl)phenyl]acetic acid?
The InChIKey is SAEXNRIWLGLMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S/c1-20-11-4-5-12(10(8-11)9-13(16)17)21(18,19)14-15-6-2-3-7-15/h2-8,14H,9H2,1H3,(H,16,17).
What are the key properties of 2-[5-methoxy-2-(pyrrol-1-ylsulfamoyl)phenyl]acetic acid?
2-[5-methoxy-2-(pyrrol-1-ylsulfamoyl)phenyl]acetic acid has a molecular weight of 310.33 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-2-(pyrrol-1-ylsulfamoyl)phenyl]acetic acid is sourced from PubChem (CID 79084888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).