4-[(2-oxooxolan-3-yl)sulfamoyl]thiophene-2-carboxylic acid

C9H9NO6S2 — CID 65416177

IUPAC4-[(2-oxooxolan-3-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2CCOC2=O)cs1
InChIInChI=1S/C9H9NO6S2/c11-8(12)7-3-5(4-17-7)18(14,15)10-6-1-2-16-9(6)13/h3-4,6,10H,1-2H2,(H,11,12)
InChIKeyLTPQEHCDWDUQEU-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.04
Rot. Bonds4

About 4-[(2-oxooxolan-3-yl)sulfamoyl]thiophene-2-carboxylic acid

4-[(2-oxooxolan-3-yl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 65416177) has the molecular formula C9H9NO6S2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-[(2-oxooxolan-3-yl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-oxooxolan-3-yl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID65416177
Molecular FormulaC9H9NO6S2
Molecular Weight291.31 g/mol
Exact Mass290.99
IUPAC Name4-[(2-oxooxolan-3-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2CCOC2=O)cs1
InChIInChI=1S/C9H9NO6S2/c11-8(12)7-3-5(4-17-7)18(14,15)10-6-1-2-16-9(6)13/h3-4,6,10H,1-2H2,(H,11,12)
InChIKeyLTPQEHCDWDUQEU-UHFFFAOYSA-N
XLogP0.04
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(oxan-3-ylsulfamoyl)thiophene-2-carboxylic acid
CID 55248976
4-methyl-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 126756514
4-[(1,1-dioxothian-4-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 63617641
4-[(1-cyclopropylpyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 63618836
4-[(2,2-dimethyloxan-4-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 83028070
4-acetyl-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide
CID 29288988
methyl 3-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]benzoate
CID 47066852
2,4-dimethyl-5-[(2-oxooxolan-3-yl)sulfamoyl]benzoic acid
CID 65416396
4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63993923
4-(hydrazinesulfonyl)thiophene-2-carboxylic acid
CID 12704290
2-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]acetic acid
CID 28774340
4-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 114628940

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxooxolan-3-yl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(2-oxooxolan-3-yl)sulfamoyl]thiophene-2-carboxylic acid (CID 65416177) is 4-[(2-oxooxolan-3-yl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(2-oxooxolan-3-yl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(2-oxooxolan-3-yl)sulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NC2CCOC2=O)cs1.
What is the InChIKey of 4-[(2-oxooxolan-3-yl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is LTPQEHCDWDUQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO6S2/c11-8(12)7-3-5(4-17-7)18(14,15)10-6-1-2-16-9(6)13/h3-4,6,10H,1-2H2,(H,11,12).
What are the key properties of 4-[(2-oxooxolan-3-yl)sulfamoyl]thiophene-2-carboxylic acid?
4-[(2-oxooxolan-3-yl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxooxolan-3-yl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 65416177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).