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

C24H25F2NO5S — CID 161259001

IUPAC5-[2-[4-[(2,3-difluorophenyl)methoxy]phenyl]ethylsulfamoyl]-2,3-dimethylbenzoic acid;molecular hydrogen
SMILESCc1cc(S(=O)(=O)NCCc2ccc(OCc3cccc(F)c3F)cc2)cc(C(=O)O)c1C.[H][H]
InChIInChI=1S/C24H23F2NO5S.H2/c1-15-12-20(13-21(16(15)2)24(28)29)33(30,31)27-11-10-17-6-8-19(9-7-17)32-14-18-4-3-5-22(25)23(18)26;/h3-9,12-13,27H,10-11,14H2,1-2H3,(H,28,29);1H
InChIKeyVCHPRCHWEHOECM-UHFFFAOYSA-N
MW477.53 g/mol
LogP4.63
Rot. Bonds9

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

5-[2-[4-[(2,3-difluorophenyl)methoxy]phenyl]ethylsulfamoyl]-2,3-dimethylbenzoic acid;molecular hydrogen (PubChem CID 161259001) has the molecular formula C24H25F2NO5S and a molecular weight of 477.53 g/mol. Its IUPAC name is 5-[2-[4-[(2,3-difluorophenyl)methoxy]phenyl]ethylsulfamoyl]-2,3-dimethylbenzoic acid;molecular hydrogen.

Molecular Properties

Compound Name5-[2-[4-[(2,3-difluorophenyl)methoxy]phenyl]ethylsulfamoyl]-2,3-dimethylbenzoic acid;molecular hydrogen
PubChem CID161259001
Molecular FormulaC24H25F2NO5S
Molecular Weight477.53 g/mol
Exact Mass477.14
IUPAC Name5-[2-[4-[(2,3-difluorophenyl)methoxy]phenyl]ethylsulfamoyl]-2,3-dimethylbenzoic acid;molecular hydrogen
SMILESCc1cc(S(=O)(=O)NCCc2ccc(OCc3cccc(F)c3F)cc2)cc(C(=O)O)c1C.[H][H]
InChIInChI=1S/C24H23F2NO5S.H2/c1-15-12-20(13-21(16(15)2)24(28)29)33(30,31)27-11-10-17-6-8-19(9-7-17)32-14-18-4-3-5-22(25)23(18)26;/h3-9,12-13,27H,10-11,14H2,1-2H3,(H,28,29);1H
InChIKeyVCHPRCHWEHOECM-UHFFFAOYSA-N
XLogP4.63
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.53
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-[4-(3-chloro-4-fluorophenoxy)phenyl]ethylsulfamoyl]-2,3-dimethylbenzoic acid;molecular hydrogen
CID 159835447
5-[[4-[(2,3-difluorophenyl)methoxy]phenyl]-ethylsulfamoyl]-2,3-dimethylbenzoic acid
CID 69236804
5-[2-[4-(4-fluoro-3-methylphenoxy)phenyl]ethylsulfamoyl]-2-methylbenzoic acid
CID 11655168
4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 7314460
methyl 5-[2-[4-(3,4-difluorophenoxy)phenyl]ethylsulfamoyl]-2-methylbenzoate
CID 11959212
3-(2-methoxyethylsulfamoyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide
CID 55749716
5-[[4-[(3,5-difluorophenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoic acid
CID 58937182
4-[4-[(2,3-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-2-methylbenzoic acid
CID 69026152
4-methoxy-3,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 112822931
1-[4-[(2,3-difluorophenyl)methoxy]phenyl]propan-2-ol
CID 115495872
4-[(2,3-difluorophenyl)methoxy]-3-methylbenzoic acid
CID 107674089
2-[4-[2-(benzenesulfonamido)ethyl]phenoxy]acetamide
CID 19388075

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[(2,3-difluorophenyl)methoxy]phenyl]ethylsulfamoyl]-2,3-dimethylbenzoic acid;molecular hydrogen?
The IUPAC name of 5-[2-[4-[(2,3-difluorophenyl)methoxy]phenyl]ethylsulfamoyl]-2,3-dimethylbenzoic acid;molecular hydrogen (CID 161259001) is 5-[2-[4-[(2,3-difluorophenyl)methoxy]phenyl]ethylsulfamoyl]-2,3-dimethylbenzoic acid;molecular hydrogen.
What is the SMILES notation for 5-[2-[4-[(2,3-difluorophenyl)methoxy]phenyl]ethylsulfamoyl]-2,3-dimethylbenzoic acid;molecular hydrogen?
The canonical SMILES for 5-[2-[4-[(2,3-difluorophenyl)methoxy]phenyl]ethylsulfamoyl]-2,3-dimethylbenzoic acid;molecular hydrogen is Cc1cc(S(=O)(=O)NCCc2ccc(OCc3cccc(F)c3F)cc2)cc(C(=O)O)c1C.[H][H].
What is the InChIKey of 5-[2-[4-[(2,3-difluorophenyl)methoxy]phenyl]ethylsulfamoyl]-2,3-dimethylbenzoic acid;molecular hydrogen?
The InChIKey is VCHPRCHWEHOECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2NO5S.H2/c1-15-12-20(13-21(16(15)2)24(28)29)33(30,31)27-11-10-17-6-8-19(9-7-17)32-14-18-4-3-5-22(25)23(18)26;/h3-9,12-13,27H,10-11,14H2,1-2H3,(H,28,29);1H.
What are the key properties of 5-[2-[4-[(2,3-difluorophenyl)methoxy]phenyl]ethylsulfamoyl]-2,3-dimethylbenzoic acid;molecular hydrogen?
5-[2-[4-[(2,3-difluorophenyl)methoxy]phenyl]ethylsulfamoyl]-2,3-dimethylbenzoic acid;molecular hydrogen has a molecular weight of 477.53 g/mol, XLogP of 4.63, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[(2,3-difluorophenyl)methoxy]phenyl]ethylsulfamoyl]-2,3-dimethylbenzoic acid;molecular hydrogen is sourced from PubChem (CID 161259001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).