5-[(2-propan-2-yloxyphenyl)sulfamoyl]thiophene-3-carboxylic acid

C14H15NO5S2 — CID 56795843

IUPAC5-[(2-propan-2-yloxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCC(C)Oc1ccccc1NS(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C14H15NO5S2/c1-9(2)20-12-6-4-3-5-11(12)15-22(18,19)13-7-10(8-21-13)14(16)17/h3-9,15H,1-2H3,(H,16,17)
InChIKeyVJAXANMVJTUZIY-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.03
Rot. Bonds6

About 5-[(2-propan-2-yloxyphenyl)sulfamoyl]thiophene-3-carboxylic acid

5-[(2-propan-2-yloxyphenyl)sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 56795843) has the molecular formula C14H15NO5S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-[(2-propan-2-yloxyphenyl)sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-propan-2-yloxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
PubChem CID56795843
Molecular FormulaC14H15NO5S2
Molecular Weight341.41 g/mol
Exact Mass341.04
IUPAC Name5-[(2-propan-2-yloxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCC(C)Oc1ccccc1NS(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C14H15NO5S2/c1-9(2)20-12-6-4-3-5-11(12)15-22(18,19)13-7-10(8-21-13)14(16)17/h3-9,15H,1-2H3,(H,16,17)
InChIKeyVJAXANMVJTUZIY-UHFFFAOYSA-N
XLogP3.03
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 25353009
5-[[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfamoyl]thiophene-3-carboxylic acid
CID 25352849
5-[(2-nitrophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 43229117
5-[(4-fluoro-2-iodophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 79769700
2-cyano-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 110756477
5-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 81354446
5-[(2-bromo-5-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 82705967
2-methyl-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 62998202
5-[[(1S)-1-(2-chlorophenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 81374909
5-[(4-ethoxy-2-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 56814744
5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 29033671
5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 107787372

Frequently Asked Questions

What is the IUPAC name of 5-[(2-propan-2-yloxyphenyl)sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[(2-propan-2-yloxyphenyl)sulfamoyl]thiophene-3-carboxylic acid (CID 56795843) is 5-[(2-propan-2-yloxyphenyl)sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[(2-propan-2-yloxyphenyl)sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[(2-propan-2-yloxyphenyl)sulfamoyl]thiophene-3-carboxylic acid is CC(C)Oc1ccccc1NS(=O)(=O)c1cc(C(=O)O)cs1.
What is the InChIKey of 5-[(2-propan-2-yloxyphenyl)sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is VJAXANMVJTUZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5S2/c1-9(2)20-12-6-4-3-5-11(12)15-22(18,19)13-7-10(8-21-13)14(16)17/h3-9,15H,1-2H3,(H,16,17).
What are the key properties of 5-[(2-propan-2-yloxyphenyl)sulfamoyl]thiophene-3-carboxylic acid?
5-[(2-propan-2-yloxyphenyl)sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 341.41 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-propan-2-yloxyphenyl)sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 56795843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).