5-[[4-[(3,5-difluorophenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoic acid

C21H17F2NO5S — CID 58937182

IUPAC5-[[4-[(3,5-difluorophenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccc(OCc3cc(F)cc(F)c3)cc2)cc1C(=O)O
InChIInChI=1S/C21H17F2NO5S/c1-13-2-7-19(11-20(13)21(25)26)30(27,28)24-17-3-5-18(6-4-17)29-12-14-8-15(22)10-16(23)9-14/h2-11,24H,12H2,1H3,(H,25,26)
InChIKeyFORHHSVYEBTVTO-UHFFFAOYSA-N
MW433.43 g/mol
LogP4.35
Rot. Bonds7

About 5-[[4-[(3,5-difluorophenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoic acid

5-[[4-[(3,5-difluorophenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoic acid (PubChem CID 58937182) has the molecular formula C21H17F2NO5S and a molecular weight of 433.43 g/mol. Its IUPAC name is 5-[[4-[(3,5-difluorophenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[[4-[(3,5-difluorophenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoic acid
PubChem CID58937182
Molecular FormulaC21H17F2NO5S
Molecular Weight433.43 g/mol
Exact Mass433.08
IUPAC Name5-[[4-[(3,5-difluorophenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccc(OCc3cc(F)cc(F)c3)cc2)cc1C(=O)O
InChIInChI=1S/C21H17F2NO5S/c1-13-2-7-19(11-20(13)21(25)26)30(27,28)24-17-3-5-18(6-4-17)29-12-14-8-15(22)10-16(23)9-14/h2-11,24H,12H2,1H3,(H,25,26)
InChIKeyFORHHSVYEBTVTO-UHFFFAOYSA-N
XLogP4.35
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[[4-[(3,5-dimethylphenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoate
CID 58937149
2-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzoic acid
CID 51113766
N-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26561579
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 134010401
3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 27620814
2-methyl-5-[[4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]phenyl]sulfamoyl]benzoic acid
CID 58937146
5-[[6-[(4-fluorophenyl)methylsulfanyl]-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid
CID 71170716
5-[[4-[(Z)-3-(benzylamino)-2-hydrazinylprop-2-enoxy]phenyl]sulfamoyl]-2-methylbenzoic acid
CID 130280736
N-(4-ethoxyphenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 27670419
2-methyl-5-[(4-naphthalen-2-ylphenyl)sulfamoyl]benzoic acid
CID 58937102
2-methyl-5-[[4-[2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]ethoxy]phenyl]sulfamoyl]benzoic acid
CID 58937200
5-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-2-methylbenzoic acid
CID 146121517

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(3,5-difluorophenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoic acid?
The IUPAC name of 5-[[4-[(3,5-difluorophenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoic acid (CID 58937182) is 5-[[4-[(3,5-difluorophenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoic acid.
What is the SMILES notation for 5-[[4-[(3,5-difluorophenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoic acid?
The canonical SMILES for 5-[[4-[(3,5-difluorophenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoic acid is Cc1ccc(S(=O)(=O)Nc2ccc(OCc3cc(F)cc(F)c3)cc2)cc1C(=O)O.
What is the InChIKey of 5-[[4-[(3,5-difluorophenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoic acid?
The InChIKey is FORHHSVYEBTVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2NO5S/c1-13-2-7-19(11-20(13)21(25)26)30(27,28)24-17-3-5-18(6-4-17)29-12-14-8-15(22)10-16(23)9-14/h2-11,24H,12H2,1H3,(H,25,26).
What are the key properties of 5-[[4-[(3,5-difluorophenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoic acid?
5-[[4-[(3,5-difluorophenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoic acid has a molecular weight of 433.43 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(3,5-difluorophenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoic acid is sourced from PubChem (CID 58937182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).