2-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenoxy]acetic acid

C12H13N3O5S — CID 61058726

IUPAC2-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenoxy]acetic acid
SMILESCn1cc(S(=O)(=O)Nc2cccc(OCC(=O)O)c2)cn1
InChIInChI=1S/C12H13N3O5S/c1-15-7-11(6-13-15)21(18,19)14-9-3-2-4-10(5-9)20-8-12(16)17/h2-7,14H,8H2,1H3,(H,16,17)
InChIKeyOSRWYWSEOWFVBZ-UHFFFAOYSA-N
MW311.32 g/mol
LogP0.68
Rot. Bonds6

About 2-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenoxy]acetic acid

2-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenoxy]acetic acid (PubChem CID 61058726) has the molecular formula C12H13N3O5S and a molecular weight of 311.32 g/mol. Its IUPAC name is 2-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenoxy]acetic acid
PubChem CID61058726
Molecular FormulaC12H13N3O5S
Molecular Weight311.32 g/mol
Exact Mass311.06
IUPAC Name2-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenoxy]acetic acid
SMILESCn1cc(S(=O)(=O)Nc2cccc(OCC(=O)O)c2)cn1
InChIInChI=1S/C12H13N3O5S/c1-15-7-11(6-13-15)21(18,19)14-9-3-2-4-10(5-9)20-8-12(16)17/h2-7,14H,8H2,1H3,(H,16,17)
InChIKeyOSRWYWSEOWFVBZ-UHFFFAOYSA-N
XLogP0.68
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrazole-4-sulfonamide
CID 87027340
4-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]butanoic acid
CID 167978269
2-[3-[(4-chlorophenyl)sulfonylamino]phenoxy]acetic acid
CID 17341772
N,N-diethyl-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzamide
CID 86980323
N-(3-formylphenyl)-1-methylpyrazole-4-sulfonamide
CID 106912960
2-[3-[(2-ethylphenyl)sulfonylamino]phenoxy]acetic acid
CID 70066284
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrazole-4-sulfonamide
CID 62063001
2-[3-(cyclohexylsulfonylamino)phenoxy]acetic acid
CID 54424546
1-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pyrazole-4-sulfonamide
CID 62063324
N-[3-[1-(ethylamino)ethyl]phenyl]-1-methylpyrazole-4-sulfonamide
CID 62063494
2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43535059
2-[3-(2-ethoxyethylsulfonylamino)phenoxy]acetic acid
CID 63245735

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenoxy]acetic acid (CID 61058726) is 2-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenoxy]acetic acid is Cn1cc(S(=O)(=O)Nc2cccc(OCC(=O)O)c2)cn1.
What is the InChIKey of 2-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenoxy]acetic acid?
The InChIKey is OSRWYWSEOWFVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5S/c1-15-7-11(6-13-15)21(18,19)14-9-3-2-4-10(5-9)20-8-12(16)17/h2-7,14H,8H2,1H3,(H,16,17).
What are the key properties of 2-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenoxy]acetic acid?
2-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenoxy]acetic acid has a molecular weight of 311.32 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenoxy]acetic acid is sourced from PubChem (CID 61058726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).