5-[[(1S)-1-(3-fluorophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid

C13H12FNO4S2 — CID 81368965

IUPAC5-[[(1S)-1-(3-fluorophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESC[C@H](NS(=O)(=O)c1ccc(C(=O)O)s1)c1cccc(F)c1
InChIInChI=1S/C13H12FNO4S2/c1-8(9-3-2-4-10(14)7-9)15-21(18,19)12-6-5-11(20-12)13(16)17/h2-8,15H,1H3,(H,16,17)/t8-/m0/s1
InChIKeyWKXSTNGQXPMPDJ-QMMMGPOBSA-N
MW329.37 g/mol
LogP2.62
Rot. Bonds5

About 5-[[(1S)-1-(3-fluorophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid

5-[[(1S)-1-(3-fluorophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 81368965) has the molecular formula C13H12FNO4S2 and a molecular weight of 329.37 g/mol. Its IUPAC name is 5-[[(1S)-1-(3-fluorophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(1S)-1-(3-fluorophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
PubChem CID81368965
Molecular FormulaC13H12FNO4S2
Molecular Weight329.37 g/mol
Exact Mass329.02
IUPAC Name5-[[(1S)-1-(3-fluorophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESC[C@H](NS(=O)(=O)c1ccc(C(=O)O)s1)c1cccc(F)c1
InChIInChI=1S/C13H12FNO4S2/c1-8(9-3-2-4-10(14)7-9)15-21(18,19)12-6-5-11(20-12)13(16)17/h2-8,15H,1H3,(H,16,17)/t8-/m0/s1
InChIKeyWKXSTNGQXPMPDJ-QMMMGPOBSA-N
XLogP2.62
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(1R)-1-(3-fluorophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81368003
5-[[(1R)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 63867055
5-[1-(2-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 61027369
5-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81404136
2-[1-(3-fluorophenyl)ethylsulfamoyl]propanoic acid
CID 54964068
N-[(1R)-1-(3-fluorophenyl)ethyl]propane-2-sulfonamide
CID 81366537
N-[1-(4-fluorophenyl)ethyl]-5-methylthiophene-2-sulfonamide
CID 47109825
2-[5-(1-phenylethylsulfamoyl)thiophen-2-yl]acetic acid
CID 43079020
1-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 107858740
1-chloro-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 63666225
1-bromo-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 83086983
5-(4-methoxybutan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 64604413

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S)-1-(3-fluorophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[(1S)-1-(3-fluorophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid (CID 81368965) is 5-[[(1S)-1-(3-fluorophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[(1S)-1-(3-fluorophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[(1S)-1-(3-fluorophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid is C[C@H](NS(=O)(=O)c1ccc(C(=O)O)s1)c1cccc(F)c1.
What is the InChIKey of 5-[[(1S)-1-(3-fluorophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is WKXSTNGQXPMPDJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H12FNO4S2/c1-8(9-3-2-4-10(14)7-9)15-21(18,19)12-6-5-11(20-12)13(16)17/h2-8,15H,1H3,(H,16,17)/t8-/m0/s1.
What are the key properties of 5-[[(1S)-1-(3-fluorophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid?
5-[[(1S)-1-(3-fluorophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 329.37 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S)-1-(3-fluorophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 81368965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).