2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetic acid

C16H16FNO4S — CID 888544

IUPAC2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetic acid
SMILESCc1ccc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2F)cc1
InChIInChI=1S/C16H16FNO4S/c1-12-6-8-14(9-7-12)23(21,22)18(11-16(19)20)10-13-4-2-3-5-15(13)17/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyVBZAUAZBTYRSBI-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.41
Rot. Bonds6

About 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetic acid

2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetic acid (PubChem CID 888544) has the molecular formula C16H16FNO4S and a molecular weight of 337.37 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetic acid
PubChem CID888544
Molecular FormulaC16H16FNO4S
Molecular Weight337.37 g/mol
Exact Mass337.08
IUPAC Name2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetic acid
SMILESCc1ccc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2F)cc1
InChIInChI=1S/C16H16FNO4S/c1-12-6-8-14(9-7-12)23(21,22)18(11-16(19)20)10-13-4-2-3-5-15(13)17/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyVBZAUAZBTYRSBI-UHFFFAOYSA-N
XLogP2.41
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetic acid (CID 888544) is 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetic acid is Cc1ccc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2F)cc1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetic acid?
The InChIKey is VBZAUAZBTYRSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4S/c1-12-6-8-14(9-7-12)23(21,22)18(11-16(19)20)10-13-4-2-3-5-15(13)17/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetic acid?
2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetic acid has a molecular weight of 337.37 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 888544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).