4-(benzenesulfonamido)thiophene-3-carboxylic acid

C11H9NO4S2 — CID 70120734

IUPAC4-(benzenesulfonamido)thiophene-3-carboxylic acid
SMILESO=C(O)c1cscc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H9NO4S2/c13-11(14)9-6-17-7-10(9)12-18(15,16)8-4-2-1-3-5-8/h1-7,12H,(H,13,14)
InChIKeyOHHXJQRLFVNRRK-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.25
Rot. Bonds4

About 4-(benzenesulfonamido)thiophene-3-carboxylic acid

4-(benzenesulfonamido)thiophene-3-carboxylic acid (PubChem CID 70120734) has the molecular formula C11H9NO4S2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-(benzenesulfonamido)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-(benzenesulfonamido)thiophene-3-carboxylic acid
PubChem CID70120734
Molecular FormulaC11H9NO4S2
Molecular Weight283.33 g/mol
Exact Mass283.00
IUPAC Name4-(benzenesulfonamido)thiophene-3-carboxylic acid
SMILESO=C(O)c1cscc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H9NO4S2/c13-11(14)9-6-17-7-10(9)12-18(15,16)8-4-2-1-3-5-8/h1-7,12H,(H,13,14)
InChIKeyOHHXJQRLFVNRRK-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

bis(4-(benzenesulfonamido)thiophene-3-carboxylic acid);3-chloroaniline;3,5-difluoroaniline
CID 70150121
2-[(4-carboxyphenyl)sulfonylamino]benzoic acid
CID 763907
4-phenyl-N-(4-phenylthiophen-3-yl)benzenesulfonamide
CID 10237527
2-[(4-acetamidophenyl)sulfonylamino]benzoic acid
CID 3863821
N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)thiophen-3-yl]-4-phenylbenzenesulfonamide
CID 10151681
2-(benzenesulfonamido)-4-(trifluoromethoxy)benzoic acid
CID 68866362
N-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide
CID 59788574
N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide
CID 3389796
6-(benzenesulfonamido)pyridine-2-carboxylic acid
CID 5263740
N-ethyl-N-methyl-2-[4-[(4-phenylphenyl)sulfonylamino]thiophen-3-yl]acetamide
CID 10173201
4-(2-chloro-3-methylanilino)thiophene-3-carboxylic acid
CID 3014942
2-(benzenesulfonamido)-3,5-dichlorobenzoic acid
CID 43235236

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)thiophene-3-carboxylic acid?
The IUPAC name of 4-(benzenesulfonamido)thiophene-3-carboxylic acid (CID 70120734) is 4-(benzenesulfonamido)thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(benzenesulfonamido)thiophene-3-carboxylic acid?
The canonical SMILES for 4-(benzenesulfonamido)thiophene-3-carboxylic acid is O=C(O)c1cscc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonamido)thiophene-3-carboxylic acid?
The InChIKey is OHHXJQRLFVNRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4S2/c13-11(14)9-6-17-7-10(9)12-18(15,16)8-4-2-1-3-5-8/h1-7,12H,(H,13,14).
What are the key properties of 4-(benzenesulfonamido)thiophene-3-carboxylic acid?
4-(benzenesulfonamido)thiophene-3-carboxylic 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 4-(benzenesulfonamido)thiophene-3-carboxylic acid is sourced from PubChem (CID 70120734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).