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

C11H11NO5S2 — CID 81409119

IUPAC5-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
SMILESC[C@H](NS(=O)(=O)c1cc(C(=O)O)cs1)c1ccco1
InChIInChI=1S/C11H11NO5S2/c1-7(9-3-2-4-17-9)12-19(15,16)10-5-8(6-18-10)11(13)14/h2-7,12H,1H3,(H,13,14)/t7-/m0/s1
InChIKeyQFIPHNRRURMYPH-ZETCQYMHSA-N
MW301.35 g/mol
LogP2.08
Rot. Bonds5

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

5-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 81409119) has the molecular formula C11H11NO5S2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
PubChem CID81409119
Molecular FormulaC11H11NO5S2
Molecular Weight301.35 g/mol
Exact Mass301.01
IUPAC Name5-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
SMILESC[C@H](NS(=O)(=O)c1cc(C(=O)O)cs1)c1ccco1
InChIInChI=1S/C11H11NO5S2/c1-7(9-3-2-4-17-9)12-19(15,16)10-5-8(6-18-10)11(13)14/h2-7,12H,1H3,(H,13,14)/t7-/m0/s1
InChIKeyQFIPHNRRURMYPH-ZETCQYMHSA-N
XLogP2.08
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
CID 43229148
5-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 81354446
4-fluoro-3-[1-(furan-2-yl)ethylsulfamoyl]benzoic acid
CID 43399440
4-fluoro-3-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]benzoic acid
CID 81390367
5-[1-(5-chlorothiophen-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
CID 43432380
5-[[(1S)-1-(2-chlorophenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 81374909
3-fluoro-4-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]benzoic acid
CID 81390250
5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 29033671
5-(aminomethyl)-N-[1-(furan-2-yl)ethyl]thiophene-2-sulfonamide
CID 43535864
4-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43535672
N-[(2S)-1-(furan-2-yl)propan-2-yl]-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 93056586
5-(1-thiophen-2-ylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 61068619

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]thiophene-3-carboxylic acid (CID 81409119) is 5-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]thiophene-3-carboxylic acid is C[C@H](NS(=O)(=O)c1cc(C(=O)O)cs1)c1ccco1.
What is the InChIKey of 5-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is QFIPHNRRURMYPH-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H11NO5S2/c1-7(9-3-2-4-17-9)12-19(15,16)10-5-8(6-18-10)11(13)14/h2-7,12H,1H3,(H,13,14)/t7-/m0/s1.
What are the key properties of 5-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]thiophene-3-carboxylic acid?
5-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 81409119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).