2-[4-(benzylsulfamoyl)-2-chlorophenoxy]acetic acid

C15H14ClNO5S — CID 7342391

IUPAC2-[4-(benzylsulfamoyl)-2-chlorophenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl
InChIInChI=1S/C15H14ClNO5S/c16-13-8-12(6-7-14(13)22-10-15(18)19)23(20,21)17-9-11-4-2-1-3-5-11/h1-8,17H,9-10H2,(H,18,19)
InChIKeyJSEJJXXCBOJQHY-UHFFFAOYSA-N
MW355.80 g/mol
LogP2.28
Rot. Bonds7

About 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]acetic acid

2-[4-(benzylsulfamoyl)-2-chlorophenoxy]acetic acid (PubChem CID 7342391) has the molecular formula C15H14ClNO5S and a molecular weight of 355.80 g/mol. Its IUPAC name is 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(benzylsulfamoyl)-2-chlorophenoxy]acetic acid
PubChem CID7342391
Molecular FormulaC15H14ClNO5S
Molecular Weight355.80 g/mol
Exact Mass355.03
IUPAC Name2-[4-(benzylsulfamoyl)-2-chlorophenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl
InChIInChI=1S/C15H14ClNO5S/c16-13-8-12(6-7-14(13)22-10-15(18)19)23(20,21)17-9-11-4-2-1-3-5-11/h1-8,17H,9-10H2,(H,18,19)
InChIKeyJSEJJXXCBOJQHY-UHFFFAOYSA-N
XLogP2.28
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetic acid
CID 2228874
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide
CID 3969964
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 126274272
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(pyridin-2-ylmethyl)acetamide
CID 1090581
N-benzyl-3-chloro-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
CID 1007908
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(2-ethylphenyl)acetamide
CID 126279616
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126260217
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-bromo-2-fluorophenyl)acetamide
CID 126272811
2-[2-chloro-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfamoyl]phenoxy]acetic acid
CID 167808293
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 126397596
2-[4-(benzenesulfonamidomethyl)phenoxy]acetic acid
CID 23470953
2-[2-chloro-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]acetic acid
CID 146130981

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]acetic acid?
The IUPAC name of 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]acetic acid (CID 7342391) is 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]acetic acid.
What is the SMILES notation for 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]acetic acid?
The canonical SMILES for 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]acetic acid is O=C(O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl.
What is the InChIKey of 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]acetic acid?
The InChIKey is JSEJJXXCBOJQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO5S/c16-13-8-12(6-7-14(13)22-10-15(18)19)23(20,21)17-9-11-4-2-1-3-5-11/h1-8,17H,9-10H2,(H,18,19).
What are the key properties of 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]acetic acid?
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]acetic acid has a molecular weight of 355.80 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]acetic acid is sourced from PubChem (CID 7342391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).