3-(thiophen-2-ylmethylsulfamoyl)benzoic acid

C12H11NO4S2 — CID 647810

IUPAC3-(thiophen-2-ylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C12H11NO4S2/c14-12(15)9-3-1-5-11(7-9)19(16,17)13-8-10-4-2-6-18-10/h1-7,13H,8H2,(H,14,15)
InChIKeyYWQWSEFRORVSOA-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.92
Rot. Bonds5

About 3-(thiophen-2-ylmethylsulfamoyl)benzoic acid

3-(thiophen-2-ylmethylsulfamoyl)benzoic acid (PubChem CID 647810) has the molecular formula C12H11NO4S2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-(thiophen-2-ylmethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name3-(thiophen-2-ylmethylsulfamoyl)benzoic acid
PubChem CID647810
Molecular FormulaC12H11NO4S2
Molecular Weight297.36 g/mol
Exact Mass297.01
IUPAC Name3-(thiophen-2-ylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C12H11NO4S2/c14-12(15)9-3-1-5-11(7-9)19(16,17)13-8-10-4-2-6-18-10/h1-7,13H,8H2,(H,14,15)
InChIKeyYWQWSEFRORVSOA-UHFFFAOYSA-N
XLogP1.92
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(thiophen-2-ylmethylsulfamoyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-{4H,5H,6H,7H-thieno[3,2-c]pyridine-5-sulfonyl}benzoic acid
CID 16778344
3-[(4-Carboxybenzyl)sulfamoyl]thiophene-2-Carboxylic Acid
CID 73659121
3-{[2-(4-Carboxyphenyl)ethyl]sulfamoyl}thiophene-2-Carboxylic Acid
CID 73659122
3-{[3-(4-Carboxyphenyl)propyl]sulfamoyl}thiophene-2-Carboxylic Acid
CID 73659123
3-(Benzylsulfamoyl)benzoic acid
CID 684905
3-(Thiophene-2-sulfonamido)benzoic acid
CID 800088
3-[(4-Carboxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 11244305
methyl 4-[(E)-2-propyl-1-(thiophen-2-ylsulfonylamino)hex-2-enyl]benzoate
CID 5771783
Methyl 3-[5-(aminomethyl)thiophen-2-yl]sulfonylbenzoate;hydrochloride
CID 130345207
US10807974, Example 23
CID 130345208
4-[(1,1-Dioxo-1lambda6-thiolan-3-yl)sulfamoyl]benzoic acid
CID 2858778
Methyl 3-({[4-(aminosulfonyl)benzyl]amino}sulfonyl)-2-thiophenecarboxylate
CID 2738730

Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-2-ylmethylsulfamoyl)benzoic acid?
The IUPAC name of 3-(thiophen-2-ylmethylsulfamoyl)benzoic acid (CID 647810) is 3-(thiophen-2-ylmethylsulfamoyl)benzoic acid.
What is the SMILES notation for 3-(thiophen-2-ylmethylsulfamoyl)benzoic acid?
The canonical SMILES for 3-(thiophen-2-ylmethylsulfamoyl)benzoic acid is O=C(O)c1cccc(S(=O)(=O)NCc2cccs2)c1.
What is the InChIKey of 3-(thiophen-2-ylmethylsulfamoyl)benzoic acid?
The InChIKey is YWQWSEFRORVSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S2/c14-12(15)9-3-1-5-11(7-9)19(16,17)13-8-10-4-2-6-18-10/h1-7,13H,8H2,(H,14,15).
What are the key properties of 3-(thiophen-2-ylmethylsulfamoyl)benzoic acid?
3-(thiophen-2-ylmethylsulfamoyl)benzoic acid has a molecular weight of 297.36 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-2-ylmethylsulfamoyl)benzoic acid is sourced from PubChem (CID 647810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).