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

C14H15NO5S2 — CID 25353009

IUPAC5-[(2-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCCCOc1ccccc1NS(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C14H15NO5S2/c1-2-7-20-12-6-4-3-5-11(12)15-22(18,19)13-8-10(9-21-13)14(16)17/h3-6,8-9,15H,2,7H2,1H3,(H,16,17)
InChIKeyXGXODBRPMRMUCP-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.04
Rot. Bonds7

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

5-[(2-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 25353009) has the molecular formula C14H15NO5S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-[(2-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
PubChem CID25353009
Molecular FormulaC14H15NO5S2
Molecular Weight341.41 g/mol
Exact Mass341.04
IUPAC Name5-[(2-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCCCOc1ccccc1NS(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C14H15NO5S2/c1-2-7-20-12-6-4-3-5-11(12)15-22(18,19)13-8-10(9-21-13)14(16)17/h3-6,8-9,15H,2,7H2,1H3,(H,16,17)
InChIKeyXGXODBRPMRMUCP-UHFFFAOYSA-N
XLogP3.04
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-propan-2-yloxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 56795843
5-[(3-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 39843156
3,4-dimethyl-5-[(2-propoxyphenyl)sulfamoyl]benzoic acid
CID 9238408
5-[(4-ethoxy-2-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 56814744
3-[(2-chlorophenyl)sulfonylamino]-4-propoxybenzoic acid
CID 110504298
5-[[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfamoyl]thiophene-3-carboxylic acid
CID 25352849
N-(2-propoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31069220
4-[2-[2-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid
CID 68692111
5-[(2-nitrophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 43229117
5-[(4-ethoxy-3-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 56799233
2-chloro-N-(2-propoxyphenyl)benzenesulfonamide
CID 7938551
3-(methanesulfonamido)-4-propoxybenzoic acid
CID 110504278

Frequently Asked Questions

What is the IUPAC name of 5-[(2-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[(2-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid (CID 25353009) is 5-[(2-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[(2-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[(2-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid is CCCOc1ccccc1NS(=O)(=O)c1cc(C(=O)O)cs1.
What is the InChIKey of 5-[(2-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is XGXODBRPMRMUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5S2/c1-2-7-20-12-6-4-3-5-11(12)15-22(18,19)13-8-10(9-21-13)14(16)17/h3-6,8-9,15H,2,7H2,1H3,(H,16,17).
What are the key properties of 5-[(2-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid?
5-[(2-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 341.41 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 25353009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).