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

C14H15NO5S2 — CID 39843156

IUPAC5-[(3-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCCCOc1cccc(NS(=O)(=O)c2cc(C(=O)O)cs2)c1
InChIInChI=1S/C14H15NO5S2/c1-2-6-20-12-5-3-4-11(8-12)15-22(18,19)13-7-10(9-21-13)14(16)17/h3-5,7-9,15H,2,6H2,1H3,(H,16,17)
InChIKeyWPJZGSFAHAHLEN-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.04
Rot. Bonds7

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

5-[(3-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 39843156) has the molecular formula C14H15NO5S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-[(3-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
PubChem CID39843156
Molecular FormulaC14H15NO5S2
Molecular Weight341.41 g/mol
Exact Mass341.04
IUPAC Name5-[(3-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCCCOc1cccc(NS(=O)(=O)c2cc(C(=O)O)cs2)c1
InChIInChI=1S/C14H15NO5S2/c1-2-6-20-12-5-3-4-11(8-12)15-22(18,19)13-7-10(9-21-13)14(16)17/h3-5,7-9,15H,2,6H2,1H3,(H,16,17)
InChIKeyWPJZGSFAHAHLEN-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-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 25353009
5-[[3-(hydroxymethyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid
CID 43229124
5-[(3-carbamoylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 43241380
5-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]sulfamoyl]thiophene-3-carboxylic acid
CID 166239536
5-[(4-ethoxy-3-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 56799233
5-[(4-ethoxy-3-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 56797689
5-[(4-ethoxy-2-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 56814744
N-(3-ethoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106012448
5-[(3-ethoxyphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 56796394
5-methyl-N-(3-propoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 61273624
5-[(3-propoxyanilino)methyl]thiophene-3-carboxamide
CID 79614000
2-chloro-N-(3-propoxyphenyl)ethanesulfonamide
CID 107651359

Frequently Asked Questions

What is the IUPAC name of 5-[(3-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[(3-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid (CID 39843156) is 5-[(3-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[(3-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[(3-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid is CCCOc1cccc(NS(=O)(=O)c2cc(C(=O)O)cs2)c1.
What is the InChIKey of 5-[(3-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is WPJZGSFAHAHLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5S2/c1-2-6-20-12-5-3-4-11(8-12)15-22(18,19)13-7-10(9-21-13)14(16)17/h3-5,7-9,15H,2,6H2,1H3,(H,16,17).
What are the key properties of 5-[(3-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid?
5-[(3-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-[(3-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 39843156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).