2-[2-fluoro-4-[2-[(4-methylphenyl)sulfonylamino]propyl]phenoxy]acetic acid

C18H20FNO5S — CID 14579460

IUPAC2-[2-fluoro-4-[2-[(4-methylphenyl)sulfonylamino]propyl]phenoxy]acetic acid
SMILESCc1ccc(S(=O)(=O)NC(C)Cc2ccc(OCC(=O)O)c(F)c2)cc1
InChIInChI=1S/C18H20FNO5S/c1-12-3-6-15(7-4-12)26(23,24)20-13(2)9-14-5-8-17(16(19)10-14)25-11-18(21)22/h3-8,10,13,20H,9,11H2,1-2H3,(H,21,22)
InChIKeyGLZUXFYIVCBCMV-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.51
Rot. Bonds8

About 2-[2-fluoro-4-[2-[(4-methylphenyl)sulfonylamino]propyl]phenoxy]acetic acid

2-[2-fluoro-4-[2-[(4-methylphenyl)sulfonylamino]propyl]phenoxy]acetic acid (PubChem CID 14579460) has the molecular formula C18H20FNO5S and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-[2-fluoro-4-[2-[(4-methylphenyl)sulfonylamino]propyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-[2-[(4-methylphenyl)sulfonylamino]propyl]phenoxy]acetic acid
PubChem CID14579460
Molecular FormulaC18H20FNO5S
Molecular Weight381.43 g/mol
Exact Mass381.10
IUPAC Name2-[2-fluoro-4-[2-[(4-methylphenyl)sulfonylamino]propyl]phenoxy]acetic acid
SMILESCc1ccc(S(=O)(=O)NC(C)Cc2ccc(OCC(=O)O)c(F)c2)cc1
InChIInChI=1S/C18H20FNO5S/c1-12-3-6-15(7-4-12)26(23,24)20-13(2)9-14-5-8-17(16(19)10-14)25-11-18(21)22/h3-8,10,13,20H,9,11H2,1-2H3,(H,21,22)
InChIKeyGLZUXFYIVCBCMV-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
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
(2S)-2-[(4-methylphenyl)sulfonylamino]-3-[4-(2-phenylethoxy)phenyl]propanoic acid
CID 71460171
methyl 2-[4-[(2S)-2-[(4-carbamimidoylphenyl)sulfonylamino]propyl]phenoxy]acetate
CID 10453943
2-[4-[2-(1-Cyclohexenyl)ethylsulfamoyl]-2-methylphenoxy]acetic acid methyl ester
CID 2211650
(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
(2S)-2-[(4-methylphenyl)sulfonylamino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 10906013
methyl (2S)-2-[(4-methylphenyl)sulfonylamino]-3-[4-(2-phenylethoxy)phenyl]propanoate
CID 71461880
p-[2-(p-Amidinobenzenesulphonamido)ethyl]phenoxyacetic acid
CID 9976875
methyl (2S)-2-[(4-methylphenyl)sulfonylamino]-3-(4-phenylmethoxyphenyl)propanoate
CID 67684770

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[2-[(4-methylphenyl)sulfonylamino]propyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-fluoro-4-[2-[(4-methylphenyl)sulfonylamino]propyl]phenoxy]acetic acid (CID 14579460) is 2-[2-fluoro-4-[2-[(4-methylphenyl)sulfonylamino]propyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-[2-[(4-methylphenyl)sulfonylamino]propyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-[2-[(4-methylphenyl)sulfonylamino]propyl]phenoxy]acetic acid is Cc1ccc(S(=O)(=O)NC(C)Cc2ccc(OCC(=O)O)c(F)c2)cc1.
What is the InChIKey of 2-[2-fluoro-4-[2-[(4-methylphenyl)sulfonylamino]propyl]phenoxy]acetic acid?
The InChIKey is GLZUXFYIVCBCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO5S/c1-12-3-6-15(7-4-12)26(23,24)20-13(2)9-14-5-8-17(16(19)10-14)25-11-18(21)22/h3-8,10,13,20H,9,11H2,1-2H3,(H,21,22).
What are the key properties of 2-[2-fluoro-4-[2-[(4-methylphenyl)sulfonylamino]propyl]phenoxy]acetic acid?
2-[2-fluoro-4-[2-[(4-methylphenyl)sulfonylamino]propyl]phenoxy]acetic acid has a molecular weight of 381.43 g/mol, XLogP of 2.51, 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-[2-[(4-methylphenyl)sulfonylamino]propyl]phenoxy]acetic acid is sourced from PubChem (CID 14579460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).