2-[2-fluoro-4-[(5-methyl-1-propan-2-ylpyrazol-3-yl)sulfamoyl]phenoxy]acetic acid

C15H18FN3O5S — CID 136548415

IUPAC2-[2-fluoro-4-[(5-methyl-1-propan-2-ylpyrazol-3-yl)sulfamoyl]phenoxy]acetic acid
SMILESCc1cc(NS(=O)(=O)c2ccc(OCC(=O)O)c(F)c2)nn1C(C)C
InChIInChI=1S/C15H18FN3O5S/c1-9(2)19-10(3)6-14(17-19)18-25(22,23)11-4-5-13(12(16)7-11)24-8-15(20)21/h4-7,9H,8H2,1-3H3,(H,17,18)(H,20,21)
InChIKeyWROLRHHKMPJRNL-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.18
Rot. Bonds7

About 2-[2-fluoro-4-[(5-methyl-1-propan-2-ylpyrazol-3-yl)sulfamoyl]phenoxy]acetic acid

2-[2-fluoro-4-[(5-methyl-1-propan-2-ylpyrazol-3-yl)sulfamoyl]phenoxy]acetic acid (PubChem CID 136548415) has the molecular formula C15H18FN3O5S and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-[2-fluoro-4-[(5-methyl-1-propan-2-ylpyrazol-3-yl)sulfamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-[(5-methyl-1-propan-2-ylpyrazol-3-yl)sulfamoyl]phenoxy]acetic acid
PubChem CID136548415
Molecular FormulaC15H18FN3O5S
Molecular Weight371.39 g/mol
Exact Mass371.10
IUPAC Name2-[2-fluoro-4-[(5-methyl-1-propan-2-ylpyrazol-3-yl)sulfamoyl]phenoxy]acetic acid
SMILESCc1cc(NS(=O)(=O)c2ccc(OCC(=O)O)c(F)c2)nn1C(C)C
InChIInChI=1S/C15H18FN3O5S/c1-9(2)19-10(3)6-14(17-19)18-25(22,23)11-4-5-13(12(16)7-11)24-8-15(20)21/h4-7,9H,8H2,1-3H3,(H,17,18)(H,20,21)
InChIKeyWROLRHHKMPJRNL-UHFFFAOYSA-N
XLogP2.18
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-fluoro-4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)sulfamoyl]phenoxy]acetic acid
CID 154746081
2-[4-[(3,5-difluorophenyl)sulfamoyl]-2-methylphenoxy]acetic acid
CID 51127956
2-[2-fluoro-4-[2-[(4-methylphenyl)sulfonylamino]ethylsulfanyl]phenoxy]acetic acid
CID 10318745
2-[4-[2-(benzenesulfonamido)propyl]-2-fluorophenoxy]acetic acid
CID 14579458
2-[4-[(1,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetic acid
CID 91645949
3-fluoro-4-propan-2-yloxy-N-pyridin-2-ylbenzenesulfonamide
CID 110758249
2-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenoxy]acetic acid
CID 169440658
2-[4-chloro-2-[2-methyl-5-(propan-2-ylsulfamoyl)phenyl]phenoxy]acetic acid
CID 70673214
3,4-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 55260020
2-[2-fluoro-4-(3-oxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenoxy]acetic acid
CID 154744045
2-[4-[(4,4-difluorocyclohexyl)-methylsulfamoyl]-2-fluorophenoxy]acetic acid
CID 167760885
2-[4-[[(2S,3R)-2-ethenyloxan-3-yl]sulfamoyl]-2-fluorophenoxy]acetic acid
CID 154805578

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[(5-methyl-1-propan-2-ylpyrazol-3-yl)sulfamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-fluoro-4-[(5-methyl-1-propan-2-ylpyrazol-3-yl)sulfamoyl]phenoxy]acetic acid (CID 136548415) is 2-[2-fluoro-4-[(5-methyl-1-propan-2-ylpyrazol-3-yl)sulfamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-[(5-methyl-1-propan-2-ylpyrazol-3-yl)sulfamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-[(5-methyl-1-propan-2-ylpyrazol-3-yl)sulfamoyl]phenoxy]acetic acid is Cc1cc(NS(=O)(=O)c2ccc(OCC(=O)O)c(F)c2)nn1C(C)C.
What is the InChIKey of 2-[2-fluoro-4-[(5-methyl-1-propan-2-ylpyrazol-3-yl)sulfamoyl]phenoxy]acetic acid?
The InChIKey is WROLRHHKMPJRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O5S/c1-9(2)19-10(3)6-14(17-19)18-25(22,23)11-4-5-13(12(16)7-11)24-8-15(20)21/h4-7,9H,8H2,1-3H3,(H,17,18)(H,20,21).
What are the key properties of 2-[2-fluoro-4-[(5-methyl-1-propan-2-ylpyrazol-3-yl)sulfamoyl]phenoxy]acetic acid?
2-[2-fluoro-4-[(5-methyl-1-propan-2-ylpyrazol-3-yl)sulfamoyl]phenoxy]acetic acid has a molecular weight of 371.39 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[(5-methyl-1-propan-2-ylpyrazol-3-yl)sulfamoyl]phenoxy]acetic acid is sourced from PubChem (CID 136548415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).