2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]sulfamoyl]acetic acid

C13H12FNO4S2 — CID 43361962

IUPAC2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C13H12FNO4S2/c14-10-5-3-9(4-6-10)13(11-2-1-7-20-11)15-21(18,19)8-12(16)17/h1-7,13,15H,8H2,(H,16,17)
InChIKeyOVUQPLAXAPDIAH-UHFFFAOYSA-N
MW329.37 g/mol
LogP1.98
Rot. Bonds6

About 2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]sulfamoyl]acetic acid

2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]sulfamoyl]acetic acid (PubChem CID 43361962) has the molecular formula C13H12FNO4S2 and a molecular weight of 329.37 g/mol. Its IUPAC name is 2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]sulfamoyl]acetic acid
PubChem CID43361962
Molecular FormulaC13H12FNO4S2
Molecular Weight329.37 g/mol
Exact Mass329.02
IUPAC Name2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C13H12FNO4S2/c14-10-5-3-9(4-6-10)13(11-2-1-7-20-11)15-21(18,19)8-12(16)17/h1-7,13,15H,8H2,(H,16,17)
InChIKeyOVUQPLAXAPDIAH-UHFFFAOYSA-N
XLogP1.98
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)methanesulfonamide
CID 25869630
3-Phenyl-3-[(2-thienylsulfonyl)amino]propanoic acid
CID 2954809
3-(4-Fluorophenyl)-2-(thiophen-2-ylsulfonylamino)propanoic acid
CID 5296326
N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 769126
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]thiophene-2-sulfonamide
CID 16233834
3-(4-Fluorophenyl)-3-(thiophen-2-ylsulfonylamino)propanoic acid
CID 25041278
1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanesulfonamide
CID 35609735
3,4-difluoro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide
CID 42890133
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2,5-dimethylthiophene-3-sulfonamide
CID 45846554
1-(4-fluorophenyl)-N-(1-thiophen-2-ylethyl)methanesulfonamide
CID 47019505
1-(4-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)methanesulfonamide
CID 47019507
N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]methanesulfonamide
CID 95629256

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]sulfamoyl]acetic acid?
The IUPAC name of 2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]sulfamoyl]acetic acid (CID 43361962) is 2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]sulfamoyl]acetic acid.
What is the SMILES notation for 2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]sulfamoyl]acetic acid?
The canonical SMILES for 2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]sulfamoyl]acetic acid is O=C(O)CS(=O)(=O)NC(c1ccc(F)cc1)c1cccs1.
What is the InChIKey of 2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]sulfamoyl]acetic acid?
The InChIKey is OVUQPLAXAPDIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4S2/c14-10-5-3-9(4-6-10)13(11-2-1-7-20-11)15-21(18,19)8-12(16)17/h1-7,13,15H,8H2,(H,16,17).
What are the key properties of 2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]sulfamoyl]acetic acid?
2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]sulfamoyl]acetic acid has a molecular weight of 329.37 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]sulfamoyl]acetic acid is sourced from PubChem (CID 43361962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).