5-[[4-[(2,3-difluorophenyl)methoxy]phenyl]-ethylsulfamoyl]-2,3-dimethylbenzoic acid

C24H23F2NO5S — CID 69236804

IUPAC5-[[4-[(2,3-difluorophenyl)methoxy]phenyl]-ethylsulfamoyl]-2,3-dimethylbenzoic acid
SMILESCCN(c1ccc(OCc2cccc(F)c2F)cc1)S(=O)(=O)c1cc(C)c(C)c(C(=O)O)c1
InChIInChI=1S/C24H23F2NO5S/c1-4-27(33(30,31)20-12-15(2)16(3)21(13-20)24(28)29)18-8-10-19(11-9-18)32-14-17-6-5-7-22(25)23(17)26/h5-13H,4,14H2,1-3H3,(H,28,29)
InChIKeyGYZYNLRSILCRJV-UHFFFAOYSA-N
MW475.51 g/mol
LogP5.07
Rot. Bonds8

About 5-[[4-[(2,3-difluorophenyl)methoxy]phenyl]-ethylsulfamoyl]-2,3-dimethylbenzoic acid

5-[[4-[(2,3-difluorophenyl)methoxy]phenyl]-ethylsulfamoyl]-2,3-dimethylbenzoic acid (PubChem CID 69236804) has the molecular formula C24H23F2NO5S and a molecular weight of 475.51 g/mol. Its IUPAC name is 5-[[4-[(2,3-difluorophenyl)methoxy]phenyl]-ethylsulfamoyl]-2,3-dimethylbenzoic acid.

Molecular Properties

Compound Name5-[[4-[(2,3-difluorophenyl)methoxy]phenyl]-ethylsulfamoyl]-2,3-dimethylbenzoic acid
PubChem CID69236804
Molecular FormulaC24H23F2NO5S
Molecular Weight475.51 g/mol
Exact Mass475.13
IUPAC Name5-[[4-[(2,3-difluorophenyl)methoxy]phenyl]-ethylsulfamoyl]-2,3-dimethylbenzoic acid
SMILESCCN(c1ccc(OCc2cccc(F)c2F)cc1)S(=O)(=O)c1cc(C)c(C)c(C(=O)O)c1
InChIInChI=1S/C24H23F2NO5S/c1-4-27(33(30,31)20-12-15(2)16(3)21(13-20)24(28)29)18-8-10-19(11-9-18)32-14-17-6-5-7-22(25)23(17)26/h5-13H,4,14H2,1-3H3,(H,28,29)
InChIKeyGYZYNLRSILCRJV-UHFFFAOYSA-N
XLogP5.07
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.51
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[4-[(2,3-difluorophenyl)methoxy]phenyl]-ethylsulfamoyl]-2,3-dimethylbenzoic acid with MolForge

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Related Compounds

5-[ethyl-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]sulfamoyl]-2,3-dimethylbenzoic acid
CID 87744634
5-[2-[4-[(2,3-difluorophenyl)methoxy]phenyl]ethylsulfamoyl]-2,3-dimethylbenzoic acid;molecular hydrogen
CID 161259001
5-[ethyl-(4-pyridin-3-yloxyphenyl)sulfamoyl]-2,3-dimethylbenzoic acid
CID 69236581
5-[ethyl-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfamoyl]-2,3-dimethylbenzoic acid
CID 69236555
5-[ethyl-(4-pyridin-4-yloxyphenyl)sulfamoyl]-2,3-dimethylbenzoic acid
CID 69236155
methyl 5-[[4-(3-chloro-4-fluorophenoxy)phenyl]-ethylsulfamoyl]-2,3-dimethylbenzoate
CID 69233929
methyl 5-[ethyl-(4-pyridin-4-yloxyphenyl)sulfamoyl]-2,3-dimethylbenzoate
CID 69236510
5-[ethyl-[4-(4-fluorophenoxy)phenyl]sulfanylsulfamoyl]-2,3-dimethylbenzoic acid
CID 87746730
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]acetic acid
CID 92649142
4-[(2-cyanophenyl)methoxy]-N-ethyl-N-phenylbenzenesulfonamide
CID 2536387
4-[4-[(2,3-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-2-methylbenzoic acid
CID 69026152
5-[ethyl-(5-methyl-2-phenyl-1,3-thiazol-4-yl)sulfamoyl]-2,3-dimethylbenzoic acid
CID 69235589

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2,3-difluorophenyl)methoxy]phenyl]-ethylsulfamoyl]-2,3-dimethylbenzoic acid?
The IUPAC name of 5-[[4-[(2,3-difluorophenyl)methoxy]phenyl]-ethylsulfamoyl]-2,3-dimethylbenzoic acid (CID 69236804) is 5-[[4-[(2,3-difluorophenyl)methoxy]phenyl]-ethylsulfamoyl]-2,3-dimethylbenzoic acid.
What is the SMILES notation for 5-[[4-[(2,3-difluorophenyl)methoxy]phenyl]-ethylsulfamoyl]-2,3-dimethylbenzoic acid?
The canonical SMILES for 5-[[4-[(2,3-difluorophenyl)methoxy]phenyl]-ethylsulfamoyl]-2,3-dimethylbenzoic acid is CCN(c1ccc(OCc2cccc(F)c2F)cc1)S(=O)(=O)c1cc(C)c(C)c(C(=O)O)c1.
What is the InChIKey of 5-[[4-[(2,3-difluorophenyl)methoxy]phenyl]-ethylsulfamoyl]-2,3-dimethylbenzoic acid?
The InChIKey is GYZYNLRSILCRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2NO5S/c1-4-27(33(30,31)20-12-15(2)16(3)21(13-20)24(28)29)18-8-10-19(11-9-18)32-14-17-6-5-7-22(25)23(17)26/h5-13H,4,14H2,1-3H3,(H,28,29).
What are the key properties of 5-[[4-[(2,3-difluorophenyl)methoxy]phenyl]-ethylsulfamoyl]-2,3-dimethylbenzoic acid?
5-[[4-[(2,3-difluorophenyl)methoxy]phenyl]-ethylsulfamoyl]-2,3-dimethylbenzoic acid has a molecular weight of 475.51 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2,3-difluorophenyl)methoxy]phenyl]-ethylsulfamoyl]-2,3-dimethylbenzoic acid is sourced from PubChem (CID 69236804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).