2-[3-chloro-4-methoxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]phenyl]acetic acid

C22H20ClNO6S — CID 146545758

IUPAC2-[3-chloro-4-methoxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]phenyl]acetic acid
SMILESCOc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(CC(=O)O)cc(Cl)c1OC
InChIInChI=1S/C22H20ClNO6S/c1-29-19-9-8-16(15-6-4-3-5-7-15)13-18(19)24-31(27,28)20-11-14(12-21(25)26)10-17(23)22(20)30-2/h3-11,13,24H,12H2,1-2H3,(H,25,26)
InChIKeyWMKLDEFXHHYZDS-UHFFFAOYSA-N
MW461.92 g/mol
LogP4.45
Rot. Bonds8

About 2-[3-chloro-4-methoxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]phenyl]acetic acid

2-[3-chloro-4-methoxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]phenyl]acetic acid (PubChem CID 146545758) has the molecular formula C22H20ClNO6S and a molecular weight of 461.92 g/mol. Its IUPAC name is 2-[3-chloro-4-methoxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-chloro-4-methoxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]phenyl]acetic acid
PubChem CID146545758
Molecular FormulaC22H20ClNO6S
Molecular Weight461.92 g/mol
Exact Mass461.07
IUPAC Name2-[3-chloro-4-methoxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]phenyl]acetic acid
SMILESCOc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(CC(=O)O)cc(Cl)c1OC
InChIInChI=1S/C22H20ClNO6S/c1-29-19-9-8-16(15-6-4-3-5-7-15)13-18(19)24-31(27,28)20-11-14(12-21(25)26)10-17(23)22(20)30-2/h3-11,13,24H,12H2,1-2H3,(H,25,26)
InChIKeyWMKLDEFXHHYZDS-UHFFFAOYSA-N
XLogP4.45
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.92
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-methoxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]phenyl]acetic acid?
The IUPAC name of 2-[3-chloro-4-methoxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]phenyl]acetic acid (CID 146545758) is 2-[3-chloro-4-methoxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-chloro-4-methoxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[3-chloro-4-methoxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]phenyl]acetic acid is COc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(CC(=O)O)cc(Cl)c1OC.
What is the InChIKey of 2-[3-chloro-4-methoxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]phenyl]acetic acid?
The InChIKey is WMKLDEFXHHYZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO6S/c1-29-19-9-8-16(15-6-4-3-5-7-15)13-18(19)24-31(27,28)20-11-14(12-21(25)26)10-17(23)22(20)30-2/h3-11,13,24H,12H2,1-2H3,(H,25,26).
What are the key properties of 2-[3-chloro-4-methoxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]phenyl]acetic acid?
2-[3-chloro-4-methoxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]phenyl]acetic acid has a molecular weight of 461.92 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-methoxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]phenyl]acetic acid is sourced from PubChem (CID 146545758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).