N-(1-benzothiophen-5-yl)-4-fluoro-3-sulfanylbenzamide

C15H10FNOS2 — CID 107031254

IUPACN-(1-benzothiophen-5-yl)-4-fluoro-3-sulfanylbenzamide
SMILESO=C(Nc1ccc2sccc2c1)c1ccc(F)c(S)c1
InChIInChI=1S/C15H10FNOS2/c16-12-3-1-10(8-13(12)19)15(18)17-11-2-4-14-9(7-11)5-6-20-14/h1-8,19H,(H,17,18)
InChIKeyDAZKMTLCSAODTH-UHFFFAOYSA-N
MW303.38 g/mol
LogP4.58
Rot. Bonds2

About N-(1-benzothiophen-5-yl)-4-fluoro-3-sulfanylbenzamide

N-(1-benzothiophen-5-yl)-4-fluoro-3-sulfanylbenzamide (PubChem CID 107031254) has the molecular formula C15H10FNOS2 and a molecular weight of 303.38 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-4-fluoro-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-4-fluoro-3-sulfanylbenzamide
PubChem CID107031254
Molecular FormulaC15H10FNOS2
Molecular Weight303.38 g/mol
Exact Mass303.02
IUPAC NameN-(1-benzothiophen-5-yl)-4-fluoro-3-sulfanylbenzamide
SMILESO=C(Nc1ccc2sccc2c1)c1ccc(F)c(S)c1
InChIInChI=1S/C15H10FNOS2/c16-12-3-1-10(8-13(12)19)15(18)17-11-2-4-14-9(7-11)5-6-20-14/h1-8,19H,(H,17,18)
InChIKeyDAZKMTLCSAODTH-UHFFFAOYSA-N
XLogP4.58
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzothiophen-5-yl)-6-fluoropyridine-3-carboxamide
CID 63979318
N-(1-benzothiophen-5-yl)-4-bromo-3-hydroxybenzamide
CID 103872126
3-amino-N-(1-benzothiophen-5-yl)-4-bromobenzamide
CID 62057837
methyl 4-(1-benzothiophen-5-ylcarbamoyl)benzoate
CID 2423033
N-(1-benzothiophen-5-yl)-4-(ethylamino)benzamide
CID 65450538
N-(1-benzothiophen-5-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103763594
5-amino-N-(1-benzothiophen-5-yl)-2,4-difluorobenzamide
CID 65474617
N-(1-benzothiophen-5-yl)-3-bromo-5-chlorobenzamide
CID 107951910
4-chloro-N-(3-chloro-4-fluorophenyl)-3-sulfanylbenzamide
CID 167246589
N-(1-benzothiophen-5-yl)-4-ethoxybenzamide
CID 23796811
4-fluoro-N-(6-methyl-3-pyridinyl)-3-sulfanylbenzamide
CID 107033145
N-(1-benzothiophen-5-yl)-3-propan-2-ylsulfonylbenzamide
CID 18587145

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-4-fluoro-3-sulfanylbenzamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-4-fluoro-3-sulfanylbenzamide (CID 107031254) is N-(1-benzothiophen-5-yl)-4-fluoro-3-sulfanylbenzamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-4-fluoro-3-sulfanylbenzamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-4-fluoro-3-sulfanylbenzamide is O=C(Nc1ccc2sccc2c1)c1ccc(F)c(S)c1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-4-fluoro-3-sulfanylbenzamide?
The InChIKey is DAZKMTLCSAODTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNOS2/c16-12-3-1-10(8-13(12)19)15(18)17-11-2-4-14-9(7-11)5-6-20-14/h1-8,19H,(H,17,18).
What are the key properties of N-(1-benzothiophen-5-yl)-4-fluoro-3-sulfanylbenzamide?
N-(1-benzothiophen-5-yl)-4-fluoro-3-sulfanylbenzamide has a molecular weight of 303.38 g/mol, XLogP of 4.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-4-fluoro-3-sulfanylbenzamide is sourced from PubChem (CID 107031254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).