2-[4-[4-(benzenesulfonamido)phenoxy]-3,5-dichlorophenyl]acetic acid

C20H15Cl2NO5S — CID 10297746

IUPAC2-[4-[4-(benzenesulfonamido)phenoxy]-3,5-dichlorophenyl]acetic acid
SMILESO=C(O)Cc1cc(Cl)c(Oc2ccc(NS(=O)(=O)c3ccccc3)cc2)c(Cl)c1
InChIInChI=1S/C20H15Cl2NO5S/c21-17-10-13(12-19(24)25)11-18(22)20(17)28-15-8-6-14(7-9-15)23-29(26,27)16-4-2-1-3-5-16/h1-11,23H,12H2,(H,24,25)
InChIKeyJHYYVXJJKSZVGY-UHFFFAOYSA-N
MW452.32 g/mol
LogP5.21
Rot. Bonds7

About 2-[4-[4-(benzenesulfonamido)phenoxy]-3,5-dichlorophenyl]acetic acid

2-[4-[4-(benzenesulfonamido)phenoxy]-3,5-dichlorophenyl]acetic acid (PubChem CID 10297746) has the molecular formula C20H15Cl2NO5S and a molecular weight of 452.32 g/mol. Its IUPAC name is 2-[4-[4-(benzenesulfonamido)phenoxy]-3,5-dichlorophenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-(benzenesulfonamido)phenoxy]-3,5-dichlorophenyl]acetic acid
PubChem CID10297746
Molecular FormulaC20H15Cl2NO5S
Molecular Weight452.32 g/mol
Exact Mass451.00
IUPAC Name2-[4-[4-(benzenesulfonamido)phenoxy]-3,5-dichlorophenyl]acetic acid
SMILESO=C(O)Cc1cc(Cl)c(Oc2ccc(NS(=O)(=O)c3ccccc3)cc2)c(Cl)c1
InChIInChI=1S/C20H15Cl2NO5S/c21-17-10-13(12-19(24)25)11-18(22)20(17)28-15-8-6-14(7-9-15)23-29(26,27)16-4-2-1-3-5-16/h1-11,23H,12H2,(H,24,25)
InChIKeyJHYYVXJJKSZVGY-UHFFFAOYSA-N
XLogP5.21
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.32
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-dichloro-4-[4-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]phenoxy]phenyl]acetic acid
CID 10183738
2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid
CID 2412067
3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 21210578
2-[2-[2-[4-[(4-chlorophenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid
CID 68687829
2-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetic acid
CID 43440440
2-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]acetic acid
CID 43714781
2-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]phenyl]acetic acid
CID 45473270
3-(3,4-dichlorophenyl)sulfonyl-N-(4-phenoxyphenyl)benzenesulfonamide
CID 25048378
2-[4-(benzenesulfonamido)-2-methylphenyl]acetic acid;2-[2-chloro-4-(trifluoromethylsulfonyloxy)phenyl]acetic acid;2-[2-methyl-4-(trifluoromethylsulfonylamino)phenyl]acetic acid
CID 159908819
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063
4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide
CID 5010043
N-(2,3-dichlorophenyl)-4-[(4-phenoxyphenyl)sulfonylamino]benzenesulfonamide
CID 43885647

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(benzenesulfonamido)phenoxy]-3,5-dichlorophenyl]acetic acid?
The IUPAC name of 2-[4-[4-(benzenesulfonamido)phenoxy]-3,5-dichlorophenyl]acetic acid (CID 10297746) is 2-[4-[4-(benzenesulfonamido)phenoxy]-3,5-dichlorophenyl]acetic acid.
What is the SMILES notation for 2-[4-[4-(benzenesulfonamido)phenoxy]-3,5-dichlorophenyl]acetic acid?
The canonical SMILES for 2-[4-[4-(benzenesulfonamido)phenoxy]-3,5-dichlorophenyl]acetic acid is O=C(O)Cc1cc(Cl)c(Oc2ccc(NS(=O)(=O)c3ccccc3)cc2)c(Cl)c1.
What is the InChIKey of 2-[4-[4-(benzenesulfonamido)phenoxy]-3,5-dichlorophenyl]acetic acid?
The InChIKey is JHYYVXJJKSZVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2NO5S/c21-17-10-13(12-19(24)25)11-18(22)20(17)28-15-8-6-14(7-9-15)23-29(26,27)16-4-2-1-3-5-16/h1-11,23H,12H2,(H,24,25).
What are the key properties of 2-[4-[4-(benzenesulfonamido)phenoxy]-3,5-dichlorophenyl]acetic acid?
2-[4-[4-(benzenesulfonamido)phenoxy]-3,5-dichlorophenyl]acetic acid has a molecular weight of 452.32 g/mol, XLogP of 5.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(benzenesulfonamido)phenoxy]-3,5-dichlorophenyl]acetic acid is sourced from PubChem (CID 10297746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).