3-chloro-N-hydroxy-1-benzothiophene-2-carboxamide

C9H6ClNO2S — CID 801008

IUPAC3-chloro-N-hydroxy-1-benzothiophene-2-carboxamide
SMILESO=C(NO)c1sc2ccccc2c1Cl
InChIInChI=1S/C9H6ClNO2S/c10-7-5-3-1-2-4-6(5)14-8(7)9(12)11-13/h1-4,13H,(H,11,12)
InChIKeyHRXULFWGEYSULN-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.67
Rot. Bonds1

About 3-chloro-N-hydroxy-1-benzothiophene-2-carboxamide

3-chloro-N-hydroxy-1-benzothiophene-2-carboxamide (PubChem CID 801008) has the molecular formula C9H6ClNO2S and a molecular weight of 227.67 g/mol. Its IUPAC name is 3-chloro-N-hydroxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-hydroxy-1-benzothiophene-2-carboxamide
PubChem CID801008
Molecular FormulaC9H6ClNO2S
Molecular Weight227.67 g/mol
Exact Mass226.98
IUPAC Name3-chloro-N-hydroxy-1-benzothiophene-2-carboxamide
SMILESO=C(NO)c1sc2ccccc2c1Cl
InChIInChI=1S/C9H6ClNO2S/c10-7-5-3-1-2-4-6(5)14-8(7)9(12)11-13/h1-4,13H,(H,11,12)
InChIKeyHRXULFWGEYSULN-UHFFFAOYSA-N
XLogP2.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-Chloro-1-benzothiophene-2-carbohydrazide
CID 606925
3,4-Dichloro-1-benzothiophene-2-carbohydrazide
CID 874733
N-hydroxybenzo(b)thiophene-2-carboxamide
CID 11708207
3-Chlorobenzo(b)thiophene-2-carboxamide
CID 607052
O-ethyl [(3-chloro-1-benzothien-2-yl)carbonyl]thiocarbamate
CID 780021
O-propyl [(3-chloro-1-benzothien-2-yl)carbonyl]thiocarbamate
CID 2227579
4-chloranyl-~{N}-oxidanyl-1-benzothiophene-2-carboxamide
CID 71714528
5-Chlorobenzothiophene-2-carbohydroxamic acid
CID 118726038
N-hydroxy-6-methyl-1-benzothiophene-2-carboxamide
CID 57658333
1-Benzothiophene-2-carboxamide
CID 237073
3-Chloro-6-fluoro-1-benzothiophene-2-carboxamide
CID 874691
3,6-Dichloro-1-benzothiophene-2-carboxamide
CID 21822810

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-hydroxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-hydroxy-1-benzothiophene-2-carboxamide (CID 801008) is 3-chloro-N-hydroxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-hydroxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-hydroxy-1-benzothiophene-2-carboxamide is O=C(NO)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-hydroxy-1-benzothiophene-2-carboxamide?
The InChIKey is HRXULFWGEYSULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2S/c10-7-5-3-1-2-4-6(5)14-8(7)9(12)11-13/h1-4,13H,(H,11,12).
What are the key properties of 3-chloro-N-hydroxy-1-benzothiophene-2-carboxamide?
3-chloro-N-hydroxy-1-benzothiophene-2-carboxamide has a molecular weight of 227.67 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-hydroxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 801008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).