3-(thiophen-2-ylsulfonylamino)benzoic acid

C11H9NO4S2 — CID 800088

IUPAC3-(thiophen-2-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C11H9NO4S2/c13-11(14)8-3-1-4-9(7-8)12-18(15,16)10-5-2-6-17-10/h1-7,12H,(H,13,14)
InChIKeyHGLIUHOTRGFJQZ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.25
Rot. Bonds4

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

3-(thiophen-2-ylsulfonylamino)benzoic acid (PubChem CID 800088) has the molecular formula C11H9NO4S2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-(thiophen-2-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name3-(thiophen-2-ylsulfonylamino)benzoic acid
PubChem CID800088
Molecular FormulaC11H9NO4S2
Molecular Weight283.33 g/mol
Exact Mass283.00
IUPAC Name3-(thiophen-2-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C11H9NO4S2/c13-11(14)8-3-1-4-9(7-8)12-18(15,16)10-5-2-6-17-10/h1-7,12H,(H,13,14)
InChIKeyHGLIUHOTRGFJQZ-UHFFFAOYSA-N
XLogP2.25
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid
CID 46890069
3-Ethanesulfonamidobenzoic acid
CID 836756
3-Benzenesulfonamidobenzoic acid
CID 792201
N-[3-(hydroxymethyl)phenyl]-2-thiophenesulfonamide
CID 2813980
3-[(3-Methyl-5-propan-2-yl-1-benzothiophen-2-yl)sulfonylamino]benzoic acid
CID 56929810
Methyl 3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 2808793
4-(Thiophene-2-sulfonamido)benzoic acid
CID 873172
3-[(4-Carboxybenzyl)sulfamoyl]thiophene-2-Carboxylic Acid
CID 73659121
4-(Thiophene-2-sulfonylamino)-benzoic acid propyl ester
CID 646875
3-(2-Phenylethenesulfonamido)benzoic acid
CID 765694
5-(2-Phenylethylsulfanyl)-2-(thiophen-2-ylsulfonylamino)benzoic acid
CID 122622922
3-{[(4-Methylphenyl)sulfonyl]amino}benzoic acid
CID 285710

Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-2-ylsulfonylamino)benzoic acid?
The IUPAC name of 3-(thiophen-2-ylsulfonylamino)benzoic acid (CID 800088) is 3-(thiophen-2-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 3-(thiophen-2-ylsulfonylamino)benzoic acid?
The canonical SMILES for 3-(thiophen-2-ylsulfonylamino)benzoic acid is O=C(O)c1cccc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of 3-(thiophen-2-ylsulfonylamino)benzoic acid?
The InChIKey is HGLIUHOTRGFJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4S2/c13-11(14)8-3-1-4-9(7-8)12-18(15,16)10-5-2-6-17-10/h1-7,12H,(H,13,14).
What are the key properties of 3-(thiophen-2-ylsulfonylamino)benzoic acid?
3-(thiophen-2-ylsulfonylamino)benzoic acid has a molecular weight of 283.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-2-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 800088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).