5-[(4-ethoxy-3-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid

C14H15NO5S2 — CID 56799233

IUPAC5-[(4-ethoxy-3-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)O)cs2)cc1C
InChIInChI=1S/C14H15NO5S2/c1-3-20-12-5-4-11(6-9(12)2)15-22(18,19)13-7-10(8-21-13)14(16)17/h4-8,15H,3H2,1-2H3,(H,16,17)
InChIKeyPCPLJRMHGIKKFF-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.95
Rot. Bonds6

About 5-[(4-ethoxy-3-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid

5-[(4-ethoxy-3-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 56799233) has the molecular formula C14H15NO5S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-[(4-ethoxy-3-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-ethoxy-3-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
PubChem CID56799233
Molecular FormulaC14H15NO5S2
Molecular Weight341.41 g/mol
Exact Mass341.04
IUPAC Name5-[(4-ethoxy-3-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)O)cs2)cc1C
InChIInChI=1S/C14H15NO5S2/c1-3-20-12-5-4-11(6-9(12)2)15-22(18,19)13-7-10(8-21-13)14(16)17/h4-8,15H,3H2,1-2H3,(H,16,17)
InChIKeyPCPLJRMHGIKKFF-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-ethoxy-3-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 56797689
5-[(4-ethoxy-2-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 56814744
5-[(3-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 39843156
5-[(2-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 25353009
5-[[3-(hydroxymethyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid
CID 43229124
4-[(4-ethoxy-2,3-dimethylphenyl)sulfonylamino]benzoic acid
CID 39845076
5-[(3-carbamoylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 43241380
5-[(3-bromo-5-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 104937765
5-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-3-carboxylic acid
CID 29274956
5-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]sulfamoyl]thiophene-3-carboxylic acid
CID 166239536
4-[(5-chloro-2-ethoxy-4-methylphenyl)sulfonylamino]benzoic acid
CID 15944040
5-[(3-chloro-4-cyanophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 43236887

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxy-3-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[(4-ethoxy-3-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid (CID 56799233) is 5-[(4-ethoxy-3-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[(4-ethoxy-3-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[(4-ethoxy-3-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid is CCOc1ccc(NS(=O)(=O)c2cc(C(=O)O)cs2)cc1C.
What is the InChIKey of 5-[(4-ethoxy-3-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is PCPLJRMHGIKKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5S2/c1-3-20-12-5-4-11(6-9(12)2)15-22(18,19)13-7-10(8-21-13)14(16)17/h4-8,15H,3H2,1-2H3,(H,16,17).
What are the key properties of 5-[(4-ethoxy-3-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid?
5-[(4-ethoxy-3-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 341.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxy-3-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 56799233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).