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

C12H10ClNO5S2 — CID 43235705

IUPAC3-[(5-chloro-2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C12H10ClNO5S2/c1-19-9-3-2-7(13)6-8(9)14-21(17,18)10-4-5-20-11(10)12(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeyWLSJJGLYGUXZSE-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.91
Rot. Bonds5

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

3-[(5-chloro-2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 43235705) has the molecular formula C12H10ClNO5S2 and a molecular weight of 347.80 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID43235705
Molecular FormulaC12H10ClNO5S2
Molecular Weight347.80 g/mol
Exact Mass346.97
IUPAC Name3-[(5-chloro-2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C12H10ClNO5S2/c1-19-9-3-2-7(13)6-8(9)14-21(17,18)10-4-5-20-11(10)12(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeyWLSJJGLYGUXZSE-UHFFFAOYSA-N
XLogP2.91
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-chloro-2-methoxyphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443083
3-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235706
3-[(3-chloro-4-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235749
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
N-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26952518
2-chloro-N-(5-chloro-2-methoxyphenyl)benzenesulfonamide
CID 4816687
N-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 2696930
7-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 51121311
methyl 3-[(2,5-dichlorophenyl)sulfonylamino]thiophene-2-carboxylate
CID 1358389
3-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 83073347
N-(5-chloro-2-methoxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349963
3-[(4-bromo-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235732

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 43235705) is 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid is COc1ccc(Cl)cc1NS(=O)(=O)c1ccsc1C(=O)O.
What is the InChIKey of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is WLSJJGLYGUXZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO5S2/c1-19-9-3-2-7(13)6-8(9)14-21(17,18)10-4-5-20-11(10)12(15)16/h2-6,14H,1H3,(H,15,16).
What are the key properties of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid?
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 347.80 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 43235705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).