3-(benzenesulfonyl)-N-hydroxy-1-benzothiophene-2-carboxamide

C15H11NO4S2 — CID 118726040

IUPAC3-(benzenesulfonyl)-N-hydroxy-1-benzothiophene-2-carboxamide
SMILESO=C(NO)c1sc2ccccc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H11NO4S2/c17-15(16-18)13-14(11-8-4-5-9-12(11)21-13)22(19,20)10-6-2-1-3-7-10/h1-9,18H,(H,16,17)
InChIKeyDPMAWPWZDLKEFJ-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.85
Rot. Bonds3

About 3-(benzenesulfonyl)-N-hydroxy-1-benzothiophene-2-carboxamide

3-(benzenesulfonyl)-N-hydroxy-1-benzothiophene-2-carboxamide (PubChem CID 118726040) has the molecular formula C15H11NO4S2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-hydroxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-hydroxy-1-benzothiophene-2-carboxamide
PubChem CID118726040
Molecular FormulaC15H11NO4S2
Molecular Weight333.39 g/mol
Exact Mass333.01
IUPAC Name3-(benzenesulfonyl)-N-hydroxy-1-benzothiophene-2-carboxamide
SMILESO=C(NO)c1sc2ccccc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H11NO4S2/c17-15(16-18)13-14(11-8-4-5-9-12(11)21-13)22(19,20)10-6-2-1-3-7-10/h1-9,18H,(H,16,17)
InChIKeyDPMAWPWZDLKEFJ-UHFFFAOYSA-N
XLogP2.85
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(benzenesulfonyl)-N-hydroxy-1-benzothiophene-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-hydroxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-(benzenesulfonyl)-N-hydroxy-1-benzothiophene-2-carboxamide (CID 118726040) is 3-(benzenesulfonyl)-N-hydroxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-hydroxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-hydroxy-1-benzothiophene-2-carboxamide is O=C(NO)c1sc2ccccc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-hydroxy-1-benzothiophene-2-carboxamide?
The InChIKey is DPMAWPWZDLKEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4S2/c17-15(16-18)13-14(11-8-4-5-9-12(11)21-13)22(19,20)10-6-2-1-3-7-10/h1-9,18H,(H,16,17).
What are the key properties of 3-(benzenesulfonyl)-N-hydroxy-1-benzothiophene-2-carboxamide?
3-(benzenesulfonyl)-N-hydroxy-1-benzothiophene-2-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-hydroxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 118726040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).