2-[4-[(4-bromo-2-chlorophenyl)sulfamoyl]phenoxy]acetic acid

C14H11BrClNO5S — CID 39827198

IUPAC2-[4-[(4-bromo-2-chlorophenyl)sulfamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C14H11BrClNO5S/c15-9-1-6-13(12(16)7-9)17-23(20,21)11-4-2-10(3-5-11)22-8-14(18)19/h1-7,17H,8H2,(H,18,19)
InChIKeyZTEAJQQHNSGJHU-UHFFFAOYSA-N
MW420.67 g/mol
LogP3.37
Rot. Bonds6

About 2-[4-[(4-bromo-2-chlorophenyl)sulfamoyl]phenoxy]acetic acid

2-[4-[(4-bromo-2-chlorophenyl)sulfamoyl]phenoxy]acetic acid (PubChem CID 39827198) has the molecular formula C14H11BrClNO5S and a molecular weight of 420.67 g/mol. Its IUPAC name is 2-[4-[(4-bromo-2-chlorophenyl)sulfamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-bromo-2-chlorophenyl)sulfamoyl]phenoxy]acetic acid
PubChem CID39827198
Molecular FormulaC14H11BrClNO5S
Molecular Weight420.67 g/mol
Exact Mass418.92
IUPAC Name2-[4-[(4-bromo-2-chlorophenyl)sulfamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C14H11BrClNO5S/c15-9-1-6-13(12(16)7-9)17-23(20,21)11-4-2-10(3-5-11)22-8-14(18)19/h1-7,17H,8H2,(H,18,19)
InChIKeyZTEAJQQHNSGJHU-UHFFFAOYSA-N
XLogP3.37
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.67
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenoxy]acetic acid
CID 56808465
2-[4-[(4-fluoro-2-methylphenyl)sulfamoyl]phenoxy]acetic acid
CID 56812215
N-(2-chloro-4-methylphenyl)-4-ethoxybenzenesulfonamide
CID 7514268
N-(4-bromo-2-chlorophenyl)-4-(ethylamino)benzenesulfonamide
CID 62145351
2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid
CID 1260151
4-[(2-chloro-4-methoxyphenyl)sulfamoyl]benzoic acid
CID 56821059
3-amino-N-(4-bromo-2-chlorophenyl)-4-hydroxybenzenesulfonamide
CID 43347164
2-[3-[(4-chlorophenyl)sulfonylamino]phenoxy]acetic acid
CID 17341772
2-[2-(4-bromo-2-chloroanilino)-2-oxoethoxy]acetic acid
CID 60662460
2-[4-(pyridin-2-ylsulfamoyl)phenoxy]acetic acid
CID 43132249
3-chloro-N-[2-(4-methylphenoxy)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46770016
N-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 53267518

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-bromo-2-chlorophenyl)sulfamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(4-bromo-2-chlorophenyl)sulfamoyl]phenoxy]acetic acid (CID 39827198) is 2-[4-[(4-bromo-2-chlorophenyl)sulfamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(4-bromo-2-chlorophenyl)sulfamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(4-bromo-2-chlorophenyl)sulfamoyl]phenoxy]acetic acid is O=C(O)COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2Cl)cc1.
What is the InChIKey of 2-[4-[(4-bromo-2-chlorophenyl)sulfamoyl]phenoxy]acetic acid?
The InChIKey is ZTEAJQQHNSGJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO5S/c15-9-1-6-13(12(16)7-9)17-23(20,21)11-4-2-10(3-5-11)22-8-14(18)19/h1-7,17H,8H2,(H,18,19).
What are the key properties of 2-[4-[(4-bromo-2-chlorophenyl)sulfamoyl]phenoxy]acetic acid?
2-[4-[(4-bromo-2-chlorophenyl)sulfamoyl]phenoxy]acetic acid has a molecular weight of 420.67 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-bromo-2-chlorophenyl)sulfamoyl]phenoxy]acetic acid is sourced from PubChem (CID 39827198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).