6-(benzylsulfonylamino)-N-hydroxy-1-benzothiophene-2-carboxamide

C16H14N2O4S2 — CID 11302939

IUPAC6-(benzylsulfonylamino)-N-hydroxy-1-benzothiophene-2-carboxamide
SMILESO=C(NO)c1cc2ccc(NS(=O)(=O)Cc3ccccc3)cc2s1
InChIInChI=1S/C16H14N2O4S2/c19-16(17-20)15-8-12-6-7-13(9-14(12)23-15)18-24(21,22)10-11-4-2-1-3-5-11/h1-9,18,20H,10H2,(H,17,19)
InChIKeyUQLATGJPYUOBQG-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.96
Rot. Bonds5

About 6-(benzylsulfonylamino)-N-hydroxy-1-benzothiophene-2-carboxamide

6-(benzylsulfonylamino)-N-hydroxy-1-benzothiophene-2-carboxamide (PubChem CID 11302939) has the molecular formula C16H14N2O4S2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-(benzylsulfonylamino)-N-hydroxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-(benzylsulfonylamino)-N-hydroxy-1-benzothiophene-2-carboxamide
PubChem CID11302939
Molecular FormulaC16H14N2O4S2
Molecular Weight362.43 g/mol
Exact Mass362.04
IUPAC Name6-(benzylsulfonylamino)-N-hydroxy-1-benzothiophene-2-carboxamide
SMILESO=C(NO)c1cc2ccc(NS(=O)(=O)Cc3ccccc3)cc2s1
InChIInChI=1S/C16H14N2O4S2/c19-16(17-20)15-8-12-6-7-13(9-14(12)23-15)18-24(21,22)10-11-4-2-1-3-5-11/h1-9,18,20H,10H2,(H,17,19)
InChIKeyUQLATGJPYUOBQG-UHFFFAOYSA-N
XLogP2.96
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.96
H-Bond Donors ≤ 53
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'}

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Related Compounds

N-hydroxy-6-(2-phenylacetamido)benzo[b]thiophene-2-carboxamide
CID 11255848
N-hydroxy-6-(naphthalen-1-ylsulfonylamino)-1-benzothiophene-2-carboxamide
CID 11350045
N-hydroxy-6-(3-phenylpropanamido)benzo[b]thiophene-2-carboxamide
CID 11359758
6-benzamido-N-hydroxybenzo[b]thiophene-2-carboxamide
CID 11449785
6-(2-(4-fluorophenyl)acetamido)-N-hydroxybenzo[b]thiophene-2-carboxamide
CID 11772295
6-(benzenesulfonamido)-N-hydroxy-1-benzothiophene-2-carboxamide
CID 44456996
N,N'-(5,5-Dioxidodibenzo[B,D]thiene-3,7-diyl)DI(2-thiophenecarboxamide)
CID 2838064
6-(benzylamino)-N-hydroxybenzo[b]thiophene-2-carboxamide
CID 23661705
N-hydroxy-6-(phenylamino)benzo[b]thiophene-2-carboxamide
CID 44440677
N-hydroxy-6-(phenethylamino)benzo[b]thiophene-2-carboxamide
CID 44440680
N-hydroxy-6-[(2-thiophen-3-ylacetyl)amino]-1-benzothiophene-2-carboxamide
CID 71712448
6-Nitrobenzothiophene-2-carbohydroxamic acid
CID 11736547

Frequently Asked Questions

What is the IUPAC name of 6-(benzylsulfonylamino)-N-hydroxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-(benzylsulfonylamino)-N-hydroxy-1-benzothiophene-2-carboxamide (CID 11302939) is 6-(benzylsulfonylamino)-N-hydroxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-(benzylsulfonylamino)-N-hydroxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-(benzylsulfonylamino)-N-hydroxy-1-benzothiophene-2-carboxamide is O=C(NO)c1cc2ccc(NS(=O)(=O)Cc3ccccc3)cc2s1.
What is the InChIKey of 6-(benzylsulfonylamino)-N-hydroxy-1-benzothiophene-2-carboxamide?
The InChIKey is UQLATGJPYUOBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S2/c19-16(17-20)15-8-12-6-7-13(9-14(12)23-15)18-24(21,22)10-11-4-2-1-3-5-11/h1-9,18,20H,10H2,(H,17,19).
What are the key properties of 6-(benzylsulfonylamino)-N-hydroxy-1-benzothiophene-2-carboxamide?
6-(benzylsulfonylamino)-N-hydroxy-1-benzothiophene-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylsulfonylamino)-N-hydroxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 11302939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).