3-chloro-6-fluoro-1-benzothiophene-2-carboxamide

C9H5ClFNOS — CID 874691

IUPAC3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
SMILESNC(=O)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C9H5ClFNOS/c10-7-5-2-1-4(11)3-6(5)14-8(7)9(12)13/h1-3H,(H2,12,13)
InChIKeySVVHNBAZLSIIIR-UHFFFAOYSA-N
MW229.66 g/mol
LogP2.79
Rot. Bonds1

About 3-chloro-6-fluoro-1-benzothiophene-2-carboxamide

3-chloro-6-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 874691) has the molecular formula C9H5ClFNOS and a molecular weight of 229.66 g/mol. Its IUPAC name is 3-chloro-6-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
PubChem CID874691
Molecular FormulaC9H5ClFNOS
Molecular Weight229.66 g/mol
Exact Mass228.98
IUPAC Name3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
SMILESNC(=O)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C9H5ClFNOS/c10-7-5-2-1-4(11)3-6(5)14-8(7)9(12)13/h1-3H,(H2,12,13)
InChIKeySVVHNBAZLSIIIR-UHFFFAOYSA-N
XLogP2.79
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 52.79
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-Chlorobenzo(b)thiophene-2-carboxamide
CID 607052
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
4-chloranyl-~{N}-oxidanyl-1-benzothiophene-2-carboxamide
CID 71714528
5-Chlorobenzothiophene-2-carbohydroxamic acid
CID 118726038
3-chloro-N'-cyclopentylidene-1-benzothiophene-2-carbohydrazide
CID 819268

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-6-fluoro-1-benzothiophene-2-carboxamide (CID 874691) is 3-chloro-6-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-6-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-6-fluoro-1-benzothiophene-2-carboxamide is NC(=O)c1sc2cc(F)ccc2c1Cl.
What is the InChIKey of 3-chloro-6-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is SVVHNBAZLSIIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFNOS/c10-7-5-2-1-4(11)3-6(5)14-8(7)9(12)13/h1-3H,(H2,12,13).
What are the key properties of 3-chloro-6-fluoro-1-benzothiophene-2-carboxamide?
3-chloro-6-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 229.66 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 874691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).