N-hydroxy-6-(naphthalen-1-ylsulfonylamino)-1-benzothiophene-2-carboxamide

C19H14N2O4S2 — CID 11350045

IUPACN-hydroxy-6-(naphthalen-1-ylsulfonylamino)-1-benzothiophene-2-carboxamide
SMILESO=C(NO)c1cc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc2s1
InChIInChI=1S/C19H14N2O4S2/c22-19(20-23)17-10-13-8-9-14(11-16(13)26-17)21-27(24,25)18-7-3-5-12-4-1-2-6-15(12)18/h1-11,21,23H,(H,20,22)
InChIKeyFCGWIBHVSXLROC-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.97
Rot. Bonds4

About N-hydroxy-6-(naphthalen-1-ylsulfonylamino)-1-benzothiophene-2-carboxamide

N-hydroxy-6-(naphthalen-1-ylsulfonylamino)-1-benzothiophene-2-carboxamide (PubChem CID 11350045) has the molecular formula C19H14N2O4S2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-hydroxy-6-(naphthalen-1-ylsulfonylamino)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-(naphthalen-1-ylsulfonylamino)-1-benzothiophene-2-carboxamide
PubChem CID11350045
Molecular FormulaC19H14N2O4S2
Molecular Weight398.47 g/mol
Exact Mass398.04
IUPAC NameN-hydroxy-6-(naphthalen-1-ylsulfonylamino)-1-benzothiophene-2-carboxamide
SMILESO=C(NO)c1cc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc2s1
InChIInChI=1S/C19H14N2O4S2/c22-19(20-23)17-10-13-8-9-14(11-16(13)26-17)21-27(24,25)18-7-3-5-12-4-1-2-6-15(12)18/h1-11,21,23H,(H,20,22)
InChIKeyFCGWIBHVSXLROC-UHFFFAOYSA-N
XLogP3.97
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.97
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-(naphthalen-1-ylsulfonylamino)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-hydroxy-6-(naphthalen-1-ylsulfonylamino)-1-benzothiophene-2-carboxamide (CID 11350045) is N-hydroxy-6-(naphthalen-1-ylsulfonylamino)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-hydroxy-6-(naphthalen-1-ylsulfonylamino)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-hydroxy-6-(naphthalen-1-ylsulfonylamino)-1-benzothiophene-2-carboxamide is O=C(NO)c1cc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc2s1.
What is the InChIKey of N-hydroxy-6-(naphthalen-1-ylsulfonylamino)-1-benzothiophene-2-carboxamide?
The InChIKey is FCGWIBHVSXLROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4S2/c22-19(20-23)17-10-13-8-9-14(11-16(13)26-17)21-27(24,25)18-7-3-5-12-4-1-2-6-15(12)18/h1-11,21,23H,(H,20,22).
What are the key properties of N-hydroxy-6-(naphthalen-1-ylsulfonylamino)-1-benzothiophene-2-carboxamide?
N-hydroxy-6-(naphthalen-1-ylsulfonylamino)-1-benzothiophene-2-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-(naphthalen-1-ylsulfonylamino)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 11350045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).