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

C15H18FN3O5S — CID 154746081

IUPAC2-[2-fluoro-4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)sulfamoyl]phenoxy]acetic acid
SMILESCC(C)c1nn(C)cc1NS(=O)(=O)c1ccc(OCC(=O)O)c(F)c1
InChIInChI=1S/C15H18FN3O5S/c1-9(2)15-12(7-19(3)17-15)18-25(22,23)10-4-5-13(11(16)6-10)24-8-14(20)21/h4-7,9,18H,8H2,1-3H3,(H,20,21)
InChIKeyYOCKHWXELKXURB-UHFFFAOYSA-N
MW371.39 g/mol
LogP1.95
Rot. Bonds7

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

2-[2-fluoro-4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)sulfamoyl]phenoxy]acetic acid (PubChem CID 154746081) has the molecular formula C15H18FN3O5S and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-[2-fluoro-4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)sulfamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)sulfamoyl]phenoxy]acetic acid
PubChem CID154746081
Molecular FormulaC15H18FN3O5S
Molecular Weight371.39 g/mol
Exact Mass371.10
IUPAC Name2-[2-fluoro-4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)sulfamoyl]phenoxy]acetic acid
SMILESCC(C)c1nn(C)cc1NS(=O)(=O)c1ccc(OCC(=O)O)c(F)c1
InChIInChI=1S/C15H18FN3O5S/c1-9(2)15-12(7-19(3)17-15)18-25(22,23)10-4-5-13(11(16)6-10)24-8-14(20)21/h4-7,9,18H,8H2,1-3H3,(H,20,21)
InChIKeyYOCKHWXELKXURB-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-fluoro-4-[(5-methyl-1-propan-2-ylpyrazol-3-yl)sulfamoyl]phenoxy]acetic acid
CID 136548415
1-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)imidazole-4-sulfonamide
CID 146090333
2-[4-[(3,5-difluorophenyl)sulfamoyl]-2-methylphenoxy]acetic acid
CID 51127956
2-[4-[2-(benzenesulfonamido)propyl]-2-fluorophenoxy]acetic acid
CID 14579458
ethyl 2-chloro-5-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfamoyl]-4-fluorobenzoate
CID 167796401
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
2-[4-chloro-2-[2-methyl-5-(propan-2-ylsulfamoyl)phenyl]phenoxy]acetic acid
CID 70673214
2-[2-fluoro-4-[2-[(4-methylphenyl)sulfonylamino]ethylsulfanyl]phenoxy]acetic acid
CID 10318745
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzenesulfonamide
CID 107462034
3-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 107462572

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)sulfamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-fluoro-4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)sulfamoyl]phenoxy]acetic acid (CID 154746081) is 2-[2-fluoro-4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)sulfamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)sulfamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)sulfamoyl]phenoxy]acetic acid is CC(C)c1nn(C)cc1NS(=O)(=O)c1ccc(OCC(=O)O)c(F)c1.
What is the InChIKey of 2-[2-fluoro-4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)sulfamoyl]phenoxy]acetic acid?
The InChIKey is YOCKHWXELKXURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O5S/c1-9(2)15-12(7-19(3)17-15)18-25(22,23)10-4-5-13(11(16)6-10)24-8-14(20)21/h4-7,9,18H,8H2,1-3H3,(H,20,21).
What are the key properties of 2-[2-fluoro-4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)sulfamoyl]phenoxy]acetic acid?
2-[2-fluoro-4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)sulfamoyl]phenoxy]acetic acid has a molecular weight of 371.39 g/mol, XLogP of 1.95, 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-[(1-methyl-3-propan-2-ylpyrazol-4-yl)sulfamoyl]phenoxy]acetic acid is sourced from PubChem (CID 154746081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).