2-[4-[(2,4-dimethylphenyl)methylsulfamoyl]phenoxy]acetic acid

C17H19NO5S — CID 138041758

IUPAC2-[4-[(2,4-dimethylphenyl)methylsulfamoyl]phenoxy]acetic acid
SMILESCc1ccc(CNS(=O)(=O)c2ccc(OCC(=O)O)cc2)c(C)c1
InChIInChI=1S/C17H19NO5S/c1-12-3-4-14(13(2)9-12)10-18-24(21,22)16-7-5-15(6-8-16)23-11-17(19)20/h3-9,18H,10-11H2,1-2H3,(H,19,20)
InChIKeyXOWYALBPGDJQFS-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.25
Rot. Bonds7

About 2-[4-[(2,4-dimethylphenyl)methylsulfamoyl]phenoxy]acetic acid

2-[4-[(2,4-dimethylphenyl)methylsulfamoyl]phenoxy]acetic acid (PubChem CID 138041758) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-[4-[(2,4-dimethylphenyl)methylsulfamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(2,4-dimethylphenyl)methylsulfamoyl]phenoxy]acetic acid
PubChem CID138041758
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Name2-[4-[(2,4-dimethylphenyl)methylsulfamoyl]phenoxy]acetic acid
SMILESCc1ccc(CNS(=O)(=O)c2ccc(OCC(=O)O)cc2)c(C)c1
InChIInChI=1S/C17H19NO5S/c1-12-3-4-14(13(2)9-12)10-18-24(21,22)16-7-5-15(6-8-16)23-11-17(19)20/h3-9,18H,10-11H2,1-2H3,(H,19,20)
InChIKeyXOWYALBPGDJQFS-UHFFFAOYSA-N
XLogP2.25
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(benzenesulfonamidomethyl)phenoxy]acetic acid
CID 23470953
2-[4-(benzylsulfamoyl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 126227786
2-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenoxy]acetic acid
CID 169440658
(2S)-N-[(2,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 55939174
2-[4-(2,2-difluoroethylsulfamoyl)phenoxy]acetic acid
CID 115405544
2-[4-(1H-pyrazol-4-ylmethylsulfamoyl)phenoxy]acetic acid
CID 60999310
2-[4-(2-methylsulfinylpropylsulfamoyl)phenoxy]acetic acid
CID 104656122
2-[4-[(4-fluoro-2-methylphenyl)sulfamoyl]phenoxy]acetic acid
CID 56812215
2-[4-(cyclobutylmethylsulfamoyl)phenoxy]acetic acid
CID 43275314
2-[4-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]phenoxy]acetic acid
CID 63964634
2-[4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]phenoxy]acetic acid
CID 106168686
(4-methylphenyl) 2-[(4-ethoxyphenyl)sulfonylamino]acetate
CID 110670646

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dimethylphenyl)methylsulfamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(2,4-dimethylphenyl)methylsulfamoyl]phenoxy]acetic acid (CID 138041758) is 2-[4-[(2,4-dimethylphenyl)methylsulfamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(2,4-dimethylphenyl)methylsulfamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(2,4-dimethylphenyl)methylsulfamoyl]phenoxy]acetic acid is Cc1ccc(CNS(=O)(=O)c2ccc(OCC(=O)O)cc2)c(C)c1.
What is the InChIKey of 2-[4-[(2,4-dimethylphenyl)methylsulfamoyl]phenoxy]acetic acid?
The InChIKey is XOWYALBPGDJQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-12-3-4-14(13(2)9-12)10-18-24(21,22)16-7-5-15(6-8-16)23-11-17(19)20/h3-9,18H,10-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-[(2,4-dimethylphenyl)methylsulfamoyl]phenoxy]acetic acid?
2-[4-[(2,4-dimethylphenyl)methylsulfamoyl]phenoxy]acetic acid has a molecular weight of 349.41 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-dimethylphenyl)methylsulfamoyl]phenoxy]acetic acid is sourced from PubChem (CID 138041758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).