2-[ethyl-[1-(4-fluorophenyl)ethyl]sulfamoyl]acetic acid

C12H16FNO4S — CID 60950551

IUPAC2-[ethyl-[1-(4-fluorophenyl)ethyl]sulfamoyl]acetic acid
SMILESCCN(C(C)c1ccc(F)cc1)S(=O)(=O)CC(=O)O
InChIInChI=1S/C12H16FNO4S/c1-3-14(19(17,18)8-12(15)16)9(2)10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,15,16)
InChIKeyMXCMOEZGYYDETD-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.62
Rot. Bonds6

About 2-[ethyl-[1-(4-fluorophenyl)ethyl]sulfamoyl]acetic acid

2-[ethyl-[1-(4-fluorophenyl)ethyl]sulfamoyl]acetic acid (PubChem CID 60950551) has the molecular formula C12H16FNO4S and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[ethyl-[1-(4-fluorophenyl)ethyl]sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[1-(4-fluorophenyl)ethyl]sulfamoyl]acetic acid
PubChem CID60950551
Molecular FormulaC12H16FNO4S
Molecular Weight289.33 g/mol
Exact Mass289.08
IUPAC Name2-[ethyl-[1-(4-fluorophenyl)ethyl]sulfamoyl]acetic acid
SMILESCCN(C(C)c1ccc(F)cc1)S(=O)(=O)CC(=O)O
InChIInChI=1S/C12H16FNO4S/c1-3-14(19(17,18)8-12(15)16)9(2)10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,15,16)
InChIKeyMXCMOEZGYYDETD-UHFFFAOYSA-N
XLogP1.62
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[1-(4-fluorophenyl)ethyl]sulfamoyl]acetic acid?
The IUPAC name of 2-[ethyl-[1-(4-fluorophenyl)ethyl]sulfamoyl]acetic acid (CID 60950551) is 2-[ethyl-[1-(4-fluorophenyl)ethyl]sulfamoyl]acetic acid.
What is the SMILES notation for 2-[ethyl-[1-(4-fluorophenyl)ethyl]sulfamoyl]acetic acid?
The canonical SMILES for 2-[ethyl-[1-(4-fluorophenyl)ethyl]sulfamoyl]acetic acid is CCN(C(C)c1ccc(F)cc1)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[ethyl-[1-(4-fluorophenyl)ethyl]sulfamoyl]acetic acid?
The InChIKey is MXCMOEZGYYDETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4S/c1-3-14(19(17,18)8-12(15)16)9(2)10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,15,16).
What are the key properties of 2-[ethyl-[1-(4-fluorophenyl)ethyl]sulfamoyl]acetic acid?
2-[ethyl-[1-(4-fluorophenyl)ethyl]sulfamoyl]acetic acid has a molecular weight of 289.33 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[1-(4-fluorophenyl)ethyl]sulfamoyl]acetic acid is sourced from PubChem (CID 60950551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).