2-[2,4-dichloro-6-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]phenoxy]acetic acid

C20H13Cl2F2NO5S — CID 146545827

IUPAC2-[2,4-dichloro-6-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1c(Cl)cc(Cl)cc1S(=O)(=O)Nc1cc(-c2ccccc2)c(F)cc1F
InChIInChI=1S/C20H13Cl2F2NO5S/c21-12-6-14(22)20(30-10-19(26)27)18(7-12)31(28,29)25-17-8-13(15(23)9-16(17)24)11-4-2-1-3-5-11/h1-9,25H,10H2,(H,26,27)
InChIKeyORWDTPCEQUATLV-UHFFFAOYSA-N
MW488.30 g/mol
LogP5.20
Rot. Bonds7

About 2-[2,4-dichloro-6-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]phenoxy]acetic acid

2-[2,4-dichloro-6-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]phenoxy]acetic acid (PubChem CID 146545827) has the molecular formula C20H13Cl2F2NO5S and a molecular weight of 488.30 g/mol. Its IUPAC name is 2-[2,4-dichloro-6-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2,4-dichloro-6-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]phenoxy]acetic acid
PubChem CID146545827
Molecular FormulaC20H13Cl2F2NO5S
Molecular Weight488.30 g/mol
Exact Mass486.99
IUPAC Name2-[2,4-dichloro-6-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1c(Cl)cc(Cl)cc1S(=O)(=O)Nc1cc(-c2ccccc2)c(F)cc1F
InChIInChI=1S/C20H13Cl2F2NO5S/c21-12-6-14(22)20(30-10-19(26)27)18(7-12)31(28,29)25-17-8-13(15(23)9-16(17)24)11-4-2-1-3-5-11/h1-9,25H,10H2,(H,26,27)
InChIKeyORWDTPCEQUATLV-UHFFFAOYSA-N
XLogP5.20
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.30
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dichloro-6-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[2,4-dichloro-6-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]phenoxy]acetic acid (CID 146545827) is 2-[2,4-dichloro-6-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2,4-dichloro-6-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2,4-dichloro-6-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]phenoxy]acetic acid is O=C(O)COc1c(Cl)cc(Cl)cc1S(=O)(=O)Nc1cc(-c2ccccc2)c(F)cc1F.
What is the InChIKey of 2-[2,4-dichloro-6-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]phenoxy]acetic acid?
The InChIKey is ORWDTPCEQUATLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2F2NO5S/c21-12-6-14(22)20(30-10-19(26)27)18(7-12)31(28,29)25-17-8-13(15(23)9-16(17)24)11-4-2-1-3-5-11/h1-9,25H,10H2,(H,26,27).
What are the key properties of 2-[2,4-dichloro-6-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]phenoxy]acetic acid?
2-[2,4-dichloro-6-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]phenoxy]acetic acid has a molecular weight of 488.30 g/mol, XLogP of 5.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dichloro-6-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]phenoxy]acetic acid is sourced from PubChem (CID 146545827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).