2-[4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]acetic acid

C18H21NO5S — CID 1261009

IUPAC2-[4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]acetic acid
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(OCC(=O)O)cc2)c1C
InChIInChI=1S/C18H21NO5S/c1-11-9-12(2)14(4)18(13(11)3)25(22,23)19-15-5-7-16(8-6-15)24-10-17(20)21/h5-9,19H,10H2,1-4H3,(H,20,21)
InChIKeyPDYPYYNWWFAORU-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.18
Rot. Bonds6

About 2-[4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]acetic acid

2-[4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]acetic acid (PubChem CID 1261009) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]acetic acid
PubChem CID1261009
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC Name2-[4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]acetic acid
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(OCC(=O)O)cc2)c1C
InChIInChI=1S/C18H21NO5S/c1-11-9-12(2)14(4)18(13(11)3)25(22,23)19-15-5-7-16(8-6-15)24-10-17(20)21/h5-9,19H,10H2,1-4H3,(H,20,21)
InChIKeyPDYPYYNWWFAORU-UHFFFAOYSA-N
XLogP3.18
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]acetic acid (CID 1261009) is 2-[4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]acetic acid is Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(OCC(=O)O)cc2)c1C.
What is the InChIKey of 2-[4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]acetic acid?
The InChIKey is PDYPYYNWWFAORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-11-9-12(2)14(4)18(13(11)3)25(22,23)19-15-5-7-16(8-6-15)24-10-17(20)21/h5-9,19H,10H2,1-4H3,(H,20,21).
What are the key properties of 2-[4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]acetic acid?
2-[4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]acetic acid has a molecular weight of 363.44 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]acetic acid is sourced from PubChem (CID 1261009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).