2-[4-chloro-2-[2-methyl-5-(propan-2-ylsulfamoyl)phenyl]phenoxy]acetic acid

C18H20ClNO5S — CID 70673214

IUPAC2-[4-chloro-2-[2-methyl-5-(propan-2-ylsulfamoyl)phenyl]phenoxy]acetic acid
SMILESCc1ccc(S(=O)(=O)NC(C)C)cc1-c1cc(Cl)ccc1OCC(=O)O
InChIInChI=1S/C18H20ClNO5S/c1-11(2)20-26(23,24)14-6-4-12(3)15(9-14)16-8-13(19)5-7-17(16)25-10-18(21)22/h4-9,11,20H,10H2,1-3H3,(H,21,22)
InChIKeyLXRYDHATBZWDOS-UHFFFAOYSA-N
MW397.88 g/mol
LogP3.47
Rot. Bonds7

About 2-[4-chloro-2-[2-methyl-5-(propan-2-ylsulfamoyl)phenyl]phenoxy]acetic acid

2-[4-chloro-2-[2-methyl-5-(propan-2-ylsulfamoyl)phenyl]phenoxy]acetic acid (PubChem CID 70673214) has the molecular formula C18H20ClNO5S and a molecular weight of 397.88 g/mol. Its IUPAC name is 2-[4-chloro-2-[2-methyl-5-(propan-2-ylsulfamoyl)phenyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-2-[2-methyl-5-(propan-2-ylsulfamoyl)phenyl]phenoxy]acetic acid
PubChem CID70673214
Molecular FormulaC18H20ClNO5S
Molecular Weight397.88 g/mol
Exact Mass397.08
IUPAC Name2-[4-chloro-2-[2-methyl-5-(propan-2-ylsulfamoyl)phenyl]phenoxy]acetic acid
SMILESCc1ccc(S(=O)(=O)NC(C)C)cc1-c1cc(Cl)ccc1OCC(=O)O
InChIInChI=1S/C18H20ClNO5S/c1-11(2)20-26(23,24)14-6-4-12(3)15(9-14)16-8-13(19)5-7-17(16)25-10-18(21)22/h4-9,11,20H,10H2,1-3H3,(H,21,22)
InChIKeyLXRYDHATBZWDOS-UHFFFAOYSA-N
XLogP3.47
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.88
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[5-(azetidin-1-ylsulfonyl)-2-methylphenyl]-4-chlorophenoxy]acetic acid
CID 70673336
2-[4-chloro-2-(2-chloro-4-methylsulfonylphenyl)phenoxy]acetic acid
CID 54586637
tert-butyl 2-[4-chloro-2-[2-methyl-5-[methyl(2-methylpropyl)sulfamoyl]phenyl]phenoxy]acetate
CID 70673226
2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-(2-hydroxyethyl)acetamide
CID 3304224
N-(2,6-dichlorophenyl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 126395881
2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-phenylacetamide
CID 1265933
N-butyl-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 126392203
2-[4-chloro-2-(1-chloroethyl)phenoxy]acetic acid
CID 68981824
N-(4-methoxyphenyl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 3961591
2-[[(5R)-5-[[4-(5-chloro-2-methylphenyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 59192626
2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]acetic acid
CID 102535929
2-[4-cyano-2-(2-methyl-5-propylsulfonylphenyl)phenoxy]acetic acid
CID 70673117

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[2-methyl-5-(propan-2-ylsulfamoyl)phenyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-chloro-2-[2-methyl-5-(propan-2-ylsulfamoyl)phenyl]phenoxy]acetic acid (CID 70673214) is 2-[4-chloro-2-[2-methyl-5-(propan-2-ylsulfamoyl)phenyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-chloro-2-[2-methyl-5-(propan-2-ylsulfamoyl)phenyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-chloro-2-[2-methyl-5-(propan-2-ylsulfamoyl)phenyl]phenoxy]acetic acid is Cc1ccc(S(=O)(=O)NC(C)C)cc1-c1cc(Cl)ccc1OCC(=O)O.
What is the InChIKey of 2-[4-chloro-2-[2-methyl-5-(propan-2-ylsulfamoyl)phenyl]phenoxy]acetic acid?
The InChIKey is LXRYDHATBZWDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO5S/c1-11(2)20-26(23,24)14-6-4-12(3)15(9-14)16-8-13(19)5-7-17(16)25-10-18(21)22/h4-9,11,20H,10H2,1-3H3,(H,21,22).
What are the key properties of 2-[4-chloro-2-[2-methyl-5-(propan-2-ylsulfamoyl)phenyl]phenoxy]acetic acid?
2-[4-chloro-2-[2-methyl-5-(propan-2-ylsulfamoyl)phenyl]phenoxy]acetic acid has a molecular weight of 397.88 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[2-methyl-5-(propan-2-ylsulfamoyl)phenyl]phenoxy]acetic acid is sourced from PubChem (CID 70673214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).