2-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-methoxyethyl]phenyl]acetic acid

C17H18ClNO5S — CID 14536982

IUPAC2-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-methoxyethyl]phenyl]acetic acid
SMILESCOC(CNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C17H18ClNO5S/c1-24-16(13-4-2-12(3-5-13)10-17(20)21)11-19-25(22,23)15-8-6-14(18)7-9-15/h2-9,16,19H,10-11H2,1H3,(H,20,21)
InChIKeyHNGCUJWYNPWYMM-UHFFFAOYSA-N
MW383.85 g/mol
LogP2.63
Rot. Bonds8

About 2-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-methoxyethyl]phenyl]acetic acid

2-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-methoxyethyl]phenyl]acetic acid (PubChem CID 14536982) has the molecular formula C17H18ClNO5S and a molecular weight of 383.85 g/mol. Its IUPAC name is 2-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-methoxyethyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-methoxyethyl]phenyl]acetic acid
PubChem CID14536982
Molecular FormulaC17H18ClNO5S
Molecular Weight383.85 g/mol
Exact Mass383.06
IUPAC Name2-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-methoxyethyl]phenyl]acetic acid
SMILESCOC(CNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C17H18ClNO5S/c1-24-16(13-4-2-12(3-5-13)10-17(20)21)11-19-25(22,23)15-8-6-14(18)7-9-15/h2-9,16,19H,10-11H2,1H3,(H,20,21)
InChIKeyHNGCUJWYNPWYMM-UHFFFAOYSA-N
XLogP2.63
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.85
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide
CID 134843251
2-[4-(2,3-dimethylbutylsulfamoyl)phenyl]acetic acid
CID 64568245
2-[4-[2-[(4-chlorophenyl)sulfonylamino]acetyl]phenyl]acetic acid
CID 14536989
3-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-hydroxyethyl]phenyl]propanoic acid
CID 14536999
2-[4-(2-methylbutylsulfamoyl)phenyl]acetic acid
CID 62694334
2-[4-(2-cyanopropylsulfamoyl)phenyl]acetic acid
CID 62668415
N-[2-methoxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 12032651
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-ethylbenzenesulfonamide
CID 110663517
4-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 90598480
2-[4-[(3-methoxy-3-oxopropyl)sulfamoyl]phenyl]acetic acid
CID 43665896
2-[4-(5-methylhexylsulfamoyl)phenyl]acetic acid
CID 115324996
4-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide
CID 110663555

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-methoxyethyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-methoxyethyl]phenyl]acetic acid (CID 14536982) is 2-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-methoxyethyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-methoxyethyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-methoxyethyl]phenyl]acetic acid is COC(CNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-methoxyethyl]phenyl]acetic acid?
The InChIKey is HNGCUJWYNPWYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO5S/c1-24-16(13-4-2-12(3-5-13)10-17(20)21)11-19-25(22,23)15-8-6-14(18)7-9-15/h2-9,16,19H,10-11H2,1H3,(H,20,21).
What are the key properties of 2-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-methoxyethyl]phenyl]acetic acid?
2-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-methoxyethyl]phenyl]acetic acid has a molecular weight of 383.85 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-methoxyethyl]phenyl]acetic acid is sourced from PubChem (CID 14536982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).