2-[2-fluoro-4-[1-[(4-methylphenyl)sulfonylamino]propan-2-yl]phenoxy]acetic acid

C18H20FNO5S — CID 14579419

IUPAC2-[2-fluoro-4-[1-[(4-methylphenyl)sulfonylamino]propan-2-yl]phenoxy]acetic acid
SMILESCc1ccc(S(=O)(=O)NCC(C)c2ccc(OCC(=O)O)c(F)c2)cc1
InChIInChI=1S/C18H20FNO5S/c1-12-3-6-15(7-4-12)26(23,24)20-10-13(2)14-5-8-17(16(19)9-14)25-11-18(21)22/h3-9,13,20H,10-11H2,1-2H3,(H,21,22)
InChIKeyZWVKNYIZYDIETL-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.68
Rot. Bonds8

About 2-[2-fluoro-4-[1-[(4-methylphenyl)sulfonylamino]propan-2-yl]phenoxy]acetic acid

2-[2-fluoro-4-[1-[(4-methylphenyl)sulfonylamino]propan-2-yl]phenoxy]acetic acid (PubChem CID 14579419) has the molecular formula C18H20FNO5S and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-[2-fluoro-4-[1-[(4-methylphenyl)sulfonylamino]propan-2-yl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-[1-[(4-methylphenyl)sulfonylamino]propan-2-yl]phenoxy]acetic acid
PubChem CID14579419
Molecular FormulaC18H20FNO5S
Molecular Weight381.43 g/mol
Exact Mass381.10
IUPAC Name2-[2-fluoro-4-[1-[(4-methylphenyl)sulfonylamino]propan-2-yl]phenoxy]acetic acid
SMILESCc1ccc(S(=O)(=O)NCC(C)c2ccc(OCC(=O)O)c(F)c2)cc1
InChIInChI=1S/C18H20FNO5S/c1-12-3-6-15(7-4-12)26(23,24)20-10-13(2)14-5-8-17(16(19)9-14)25-11-18(21)22/h3-9,13,20H,10-11H2,1-2H3,(H,21,22)
InChIKeyZWVKNYIZYDIETL-UHFFFAOYSA-N
XLogP2.68
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Sulotroban
CID 51550
2-(4''-(N,N-diethylsulfamoyl)-5-(trifluoromethyl)biphenyl-2-yloxy)acetic acid
CID 11258980
(2R)-3-methyl-2-[[4-(4-phenylmethoxyphenyl)phenyl]sulfonylamino]butanoic acid
CID 57393744
(2R)-2-[[4-[4-[(3-fluorophenyl)methoxy]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 57402485
2-(2-Fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2528367
2-[4-[(2S)-2-[(4-carbamimidoylphenyl)sulfonylamino]propyl]phenoxy]acetic acid
CID 10430540
p-[2-(p-Amidinobenzenesulphonamido)ethyl]phenoxyacetic acid
CID 9976875
2-[2,6-Difluoro-4-[2-[(4-methylphenyl)sulfonylamino]ethylsulfanyl]phenoxy]acetic acid
CID 10387245
2-[4-[2-[(4-Chlorophenyl)sulfonylamino]ethyl]-2,6-difluorophenoxy]acetic acid
CID 14620892
N-(4'-Methoxy-4-biphenylylsulfonyl)-beta-alanine
CID 44669177
2-[4-(2-Phenylethylsulfamoyl)phenoxy]acetic acid
CID 3704629
2-[4-[2-[[3,6-Di(propan-2-yl)azulen-1-yl]sulfonylamino]ethyl]phenoxy]acetic acid
CID 9982132

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[1-[(4-methylphenyl)sulfonylamino]propan-2-yl]phenoxy]acetic acid?
The IUPAC name of 2-[2-fluoro-4-[1-[(4-methylphenyl)sulfonylamino]propan-2-yl]phenoxy]acetic acid (CID 14579419) is 2-[2-fluoro-4-[1-[(4-methylphenyl)sulfonylamino]propan-2-yl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-[1-[(4-methylphenyl)sulfonylamino]propan-2-yl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-[1-[(4-methylphenyl)sulfonylamino]propan-2-yl]phenoxy]acetic acid is Cc1ccc(S(=O)(=O)NCC(C)c2ccc(OCC(=O)O)c(F)c2)cc1.
What is the InChIKey of 2-[2-fluoro-4-[1-[(4-methylphenyl)sulfonylamino]propan-2-yl]phenoxy]acetic acid?
The InChIKey is ZWVKNYIZYDIETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO5S/c1-12-3-6-15(7-4-12)26(23,24)20-10-13(2)14-5-8-17(16(19)9-14)25-11-18(21)22/h3-9,13,20H,10-11H2,1-2H3,(H,21,22).
What are the key properties of 2-[2-fluoro-4-[1-[(4-methylphenyl)sulfonylamino]propan-2-yl]phenoxy]acetic acid?
2-[2-fluoro-4-[1-[(4-methylphenyl)sulfonylamino]propan-2-yl]phenoxy]acetic acid has a molecular weight of 381.43 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[1-[(4-methylphenyl)sulfonylamino]propan-2-yl]phenoxy]acetic acid is sourced from PubChem (CID 14579419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).