5-[2-[4-(4-fluoro-3-methylphenoxy)phenyl]ethylsulfamoyl]-2-methylbenzoic acid

C23H22FNO5S — CID 11655168

IUPAC5-[2-[4-(4-fluoro-3-methylphenoxy)phenyl]ethylsulfamoyl]-2-methylbenzoic acid
SMILESCc1cc(Oc2ccc(CCNS(=O)(=O)c3ccc(C)c(C(=O)O)c3)cc2)ccc1F
InChIInChI=1S/C23H22FNO5S/c1-15-3-9-20(14-21(15)23(26)27)31(28,29)25-12-11-17-4-6-18(7-5-17)30-19-8-10-22(24)16(2)13-19/h3-10,13-14,25H,11-12H2,1-2H3,(H,26,27)
InChIKeyFRUOJONZQGLWQR-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.45
Rot. Bonds8

About 5-[2-[4-(4-fluoro-3-methylphenoxy)phenyl]ethylsulfamoyl]-2-methylbenzoic acid

5-[2-[4-(4-fluoro-3-methylphenoxy)phenyl]ethylsulfamoyl]-2-methylbenzoic acid (PubChem CID 11655168) has the molecular formula C23H22FNO5S and a molecular weight of 443.50 g/mol. Its IUPAC name is 5-[2-[4-(4-fluoro-3-methylphenoxy)phenyl]ethylsulfamoyl]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[2-[4-(4-fluoro-3-methylphenoxy)phenyl]ethylsulfamoyl]-2-methylbenzoic acid
PubChem CID11655168
Molecular FormulaC23H22FNO5S
Molecular Weight443.50 g/mol
Exact Mass443.12
IUPAC Name5-[2-[4-(4-fluoro-3-methylphenoxy)phenyl]ethylsulfamoyl]-2-methylbenzoic acid
SMILESCc1cc(Oc2ccc(CCNS(=O)(=O)c3ccc(C)c(C(=O)O)c3)cc2)ccc1F
InChIInChI=1S/C23H22FNO5S/c1-15-3-9-20(14-21(15)23(26)27)31(28,29)25-12-11-17-4-6-18(7-5-17)30-19-8-10-22(24)16(2)13-19/h3-10,13-14,25H,11-12H2,1-2H3,(H,26,27)
InChIKeyFRUOJONZQGLWQR-UHFFFAOYSA-N
XLogP4.45
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[2-[4-(3,4-difluorophenoxy)phenyl]ethylsulfamoyl]-2-methylbenzoate
CID 11959212
5-[2-[4-(3-chloro-4-fluorophenoxy)phenyl]ethylsulfamoyl]-2,3-dimethylbenzoic acid;molecular hydrogen
CID 159835447
4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 7314460
5-[2-[4-[(2,3-difluorophenyl)methoxy]phenyl]ethylsulfamoyl]-2,3-dimethylbenzoic acid;molecular hydrogen
CID 161259001
5-(2-carbamoyloxyethylsulfamoyl)-2-methylbenzoic acid
CID 83202818
5-[(3-amino-3-oxopropyl)sulfamoyl]-2-methylbenzoic acid
CID 43553454
2-methyl-5-(3-methylsulfonylpropylsulfamoyl)benzoic acid
CID 61019508
5-(decylsulfamoyl)-2-methylbenzoic acid
CID 100820311
5-(benzylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbenzamide
CID 33305075
4-fluoro-3-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid
CID 9160344
N-(2,5-dimethoxyphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
CID 4609696
5-(2-hydroxybutylsulfamoyl)-2-methylbenzoic acid
CID 113491967

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(4-fluoro-3-methylphenoxy)phenyl]ethylsulfamoyl]-2-methylbenzoic acid?
The IUPAC name of 5-[2-[4-(4-fluoro-3-methylphenoxy)phenyl]ethylsulfamoyl]-2-methylbenzoic acid (CID 11655168) is 5-[2-[4-(4-fluoro-3-methylphenoxy)phenyl]ethylsulfamoyl]-2-methylbenzoic acid.
What is the SMILES notation for 5-[2-[4-(4-fluoro-3-methylphenoxy)phenyl]ethylsulfamoyl]-2-methylbenzoic acid?
The canonical SMILES for 5-[2-[4-(4-fluoro-3-methylphenoxy)phenyl]ethylsulfamoyl]-2-methylbenzoic acid is Cc1cc(Oc2ccc(CCNS(=O)(=O)c3ccc(C)c(C(=O)O)c3)cc2)ccc1F.
What is the InChIKey of 5-[2-[4-(4-fluoro-3-methylphenoxy)phenyl]ethylsulfamoyl]-2-methylbenzoic acid?
The InChIKey is FRUOJONZQGLWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO5S/c1-15-3-9-20(14-21(15)23(26)27)31(28,29)25-12-11-17-4-6-18(7-5-17)30-19-8-10-22(24)16(2)13-19/h3-10,13-14,25H,11-12H2,1-2H3,(H,26,27).
What are the key properties of 5-[2-[4-(4-fluoro-3-methylphenoxy)phenyl]ethylsulfamoyl]-2-methylbenzoic acid?
5-[2-[4-(4-fluoro-3-methylphenoxy)phenyl]ethylsulfamoyl]-2-methylbenzoic acid has a molecular weight of 443.50 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(4-fluoro-3-methylphenoxy)phenyl]ethylsulfamoyl]-2-methylbenzoic acid is sourced from PubChem (CID 11655168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).