4-[(1,1-dioxothian-4-yl)sulfamoyl]thiophene-2-carboxylic acid

C10H13NO6S3 — CID 63617641

IUPAC4-[(1,1-dioxothian-4-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2CCS(=O)(=O)CC2)cs1
InChIInChI=1S/C10H13NO6S3/c12-10(13)9-5-8(6-18-9)20(16,17)11-7-1-3-19(14,15)4-2-7/h5-7,11H,1-4H2,(H,12,13)
InChIKeySIXUMCLSVYAAJD-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.30
Rot. Bonds4

About 4-[(1,1-dioxothian-4-yl)sulfamoyl]thiophene-2-carboxylic acid

4-[(1,1-dioxothian-4-yl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 63617641) has the molecular formula C10H13NO6S3 and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-[(1,1-dioxothian-4-yl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1,1-dioxothian-4-yl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID63617641
Molecular FormulaC10H13NO6S3
Molecular Weight339.42 g/mol
Exact Mass338.99
IUPAC Name4-[(1,1-dioxothian-4-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2CCS(=O)(=O)CC2)cs1
InChIInChI=1S/C10H13NO6S3/c12-10(13)9-5-8(6-18-9)20(16,17)11-7-1-3-19(14,15)4-2-7/h5-7,11H,1-4H2,(H,12,13)
InChIKeySIXUMCLSVYAAJD-UHFFFAOYSA-N
XLogP0.30
TPSA117.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(1-cyclopropylpyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 63618836
4-(oxan-3-ylsulfamoyl)thiophene-2-carboxylic acid
CID 55248976
4-(cycloheptylsulfamoyl)thiophene-2-carboxamide
CID 6486058
4-[(2,2-dimethyloxan-4-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 83028070
4-[(2-oxooxolan-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 65416177
4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63993923
4-(hydrazinesulfonyl)thiophene-2-carboxylic acid
CID 12704290
4-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 114628940
4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzoic acid
CID 2858778
4-bromo-N-(1,1-dioxothian-4-yl)benzenesulfonamide
CID 59744414
4-[(1-cyclopropylpyrrolidin-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 63617321
methyl 4-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate
CID 120586279

Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxothian-4-yl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(1,1-dioxothian-4-yl)sulfamoyl]thiophene-2-carboxylic acid (CID 63617641) is 4-[(1,1-dioxothian-4-yl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(1,1-dioxothian-4-yl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(1,1-dioxothian-4-yl)sulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NC2CCS(=O)(=O)CC2)cs1.
What is the InChIKey of 4-[(1,1-dioxothian-4-yl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is SIXUMCLSVYAAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO6S3/c12-10(13)9-5-8(6-18-9)20(16,17)11-7-1-3-19(14,15)4-2-7/h5-7,11H,1-4H2,(H,12,13).
What are the key properties of 4-[(1,1-dioxothian-4-yl)sulfamoyl]thiophene-2-carboxylic acid?
4-[(1,1-dioxothian-4-yl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 339.42 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxothian-4-yl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63617641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).