3-chloro-6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)-1-benzothiophene-2-carboxamide

C15H16ClFN2O3S2 — CID 46419737

IUPAC3-chloro-6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)-1-benzothiophene-2-carboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2sc3cc(F)ccc3c2Cl)CC1
InChIInChI=1S/C15H16ClFN2O3S2/c1-24(21,22)19-6-4-10(5-7-19)18-15(20)14-13(16)11-3-2-9(17)8-12(11)23-14/h2-3,8,10H,4-7H2,1H3,(H,18,20)
InChIKeySWKNRYUFZCEEGP-UHFFFAOYSA-N
MW390.89 g/mol
LogP2.85
Rot. Bonds3

About 3-chloro-6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)-1-benzothiophene-2-carboxamide

3-chloro-6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)-1-benzothiophene-2-carboxamide (PubChem CID 46419737) has the molecular formula C15H16ClFN2O3S2 and a molecular weight of 390.89 g/mol. Its IUPAC name is 3-chloro-6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)-1-benzothiophene-2-carboxamide
PubChem CID46419737
Molecular FormulaC15H16ClFN2O3S2
Molecular Weight390.89 g/mol
Exact Mass390.03
IUPAC Name3-chloro-6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)-1-benzothiophene-2-carboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2sc3cc(F)ccc3c2Cl)CC1
InChIInChI=1S/C15H16ClFN2O3S2/c1-24(21,22)19-6-4-10(5-7-19)18-15(20)14-13(16)11-3-2-9(17)8-12(11)23-14/h2-3,8,10H,4-7H2,1H3,(H,18,20)
InChIKeySWKNRYUFZCEEGP-UHFFFAOYSA-N
XLogP2.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N'-(cyclopropanecarbonyl)-6-fluoro-1-benzothiophene-2-carbohydrazide
CID 26586793
3-chloro-N-[[(1R,5R)-5-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 98389190
3-(3-chloro-6-fluoro-1-benzothiophen-2-yl)-2-cyano-N-cyclopropyl-3-oxopropanamide
CID 75493483
3-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 55629184
3-chloro-6-fluoro-N-(5-fluoro-2-methylphenyl)-1-benzothiophene-2-carboxamide
CID 9097794
3-chloro-N-cyclohexyl-6-methoxy-1-benzothiophene-2-carboxamide
CID 675724
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
CID 98689879
3,6-dichloro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide
CID 119389377
3-chloro-6-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-benzothiophene-2-carboxamide
CID 18157083
N-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49460434
2,5-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 108561587
3-chloro-N-cyclopropyl-6-nitro-1-benzothiophene-2-carboxamide
CID 831416

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)-1-benzothiophene-2-carboxamide (CID 46419737) is 3-chloro-6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)-1-benzothiophene-2-carboxamide is CS(=O)(=O)N1CCC(NC(=O)c2sc3cc(F)ccc3c2Cl)CC1.
What is the InChIKey of 3-chloro-6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is SWKNRYUFZCEEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O3S2/c1-24(21,22)19-6-4-10(5-7-19)18-15(20)14-13(16)11-3-2-9(17)8-12(11)23-14/h2-3,8,10H,4-7H2,1H3,(H,18,20).
What are the key properties of 3-chloro-6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)-1-benzothiophene-2-carboxamide?
3-chloro-6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 390.89 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 46419737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).