3-chloro-1-benzothiophene-2-carboxamide

C9H6ClNOS — CID 607052

IUPAC3-chloro-1-benzothiophene-2-carboxamide
SMILESNC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C9H6ClNOS/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,(H2,11,12)
InChIKeyXAELQWGFCUUJNM-UHFFFAOYSA-N
MW211.67 g/mol
LogP2.65
Rot. Bonds1

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

3-chloro-1-benzothiophene-2-carboxamide (PubChem CID 607052) has the molecular formula C9H6ClNOS and a molecular weight of 211.67 g/mol. Its IUPAC name is 3-chloro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-1-benzothiophene-2-carboxamide
PubChem CID607052
Molecular FormulaC9H6ClNOS
Molecular Weight211.67 g/mol
Exact Mass210.99
IUPAC Name3-chloro-1-benzothiophene-2-carboxamide
SMILESNC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C9H6ClNOS/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,(H2,11,12)
InChIKeyXAELQWGFCUUJNM-UHFFFAOYSA-N
XLogP2.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.67
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Chloro-1-benzothiophene-2-carbohydrazide
CID 606925
3,4-Dichloro-1-benzothiophene-2-carbohydrazide
CID 874733
3-Chlorobenzothiophene-2-Carbohydroxamic Acid
CID 801008
N-hydroxybenzo(b)thiophene-2-carboxamide
CID 11708207
3-chloro-N-cyclopropyl-1-benzothiophene-2-carboxamide
CID 673330
3-chloro-N-cyclopropyl-6-fluoro-1-benzothiophene-2-carboxamide
CID 2329285
O-ethyl [(3-chloro-1-benzothien-2-yl)carbonyl]thiocarbamate
CID 780021
O-propyl [(3-chloro-1-benzothien-2-yl)carbonyl]thiocarbamate
CID 2227579
8-Chloro-4H-thieno[3,2-c][1]benzothiopyran-2-carboxamide
CID 2739660
3-Chlorobenzo(b)thiophene-2-carbonyl chloride
CID 519898
3-Chloro-1-benzothiophene-2-carbaldehyde
CID 818121
4-chloranyl-~{N}-oxidanyl-1-benzothiophene-2-carboxamide
CID 71714528

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-1-benzothiophene-2-carboxamide (CID 607052) is 3-chloro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-1-benzothiophene-2-carboxamide is NC(=O)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-1-benzothiophene-2-carboxamide?
The InChIKey is XAELQWGFCUUJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNOS/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,(H2,11,12).
What are the key properties of 3-chloro-1-benzothiophene-2-carboxamide?
3-chloro-1-benzothiophene-2-carboxamide has a molecular weight of 211.67 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 607052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).