(3S)-7-fluoro-1,2,3,4-tetrahydrodibenzothiophene-3-carboxamide

C13H12FNOS — CID 129389178

IUPAC(3S)-7-fluoro-1,2,3,4-tetrahydrodibenzothiophene-3-carboxamide
SMILESNC(=O)[C@H]1CCc2c(sc3cc(F)ccc23)C1
InChIInChI=1S/C13H12FNOS/c14-8-2-4-10-9-3-1-7(13(15)16)5-11(9)17-12(10)6-8/h2,4,6-7H,1,3,5H2,(H2,15,16)/t7-/m0/s1
InChIKeyWTEFZQXOGRVGCF-ZETCQYMHSA-N
MW249.31 g/mol
LogP2.63
Rot. Bonds1

About (3S)-7-fluoro-1,2,3,4-tetrahydrodibenzothiophene-3-carboxamide

(3S)-7-fluoro-1,2,3,4-tetrahydrodibenzothiophene-3-carboxamide (PubChem CID 129389178) has the molecular formula C13H12FNOS and a molecular weight of 249.31 g/mol. Its IUPAC name is (3S)-7-fluoro-1,2,3,4-tetrahydrodibenzothiophene-3-carboxamide.

Molecular Properties

Compound Name(3S)-7-fluoro-1,2,3,4-tetrahydrodibenzothiophene-3-carboxamide
PubChem CID129389178
Molecular FormulaC13H12FNOS
Molecular Weight249.31 g/mol
Exact Mass249.06
IUPAC Name(3S)-7-fluoro-1,2,3,4-tetrahydrodibenzothiophene-3-carboxamide
SMILESNC(=O)[C@H]1CCc2c(sc3cc(F)ccc23)C1
InChIInChI=1S/C13H12FNOS/c14-8-2-4-10-9-3-1-7(13(15)16)5-11(9)17-12(10)6-8/h2,4,6-7H,1,3,5H2,(H2,15,16)/t7-/m0/s1
InChIKeyWTEFZQXOGRVGCF-ZETCQYMHSA-N
XLogP2.63
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxamide
CID 84613298
7-fluoro-2-methyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 164872768
1-(4-fluoro-2-formylphenyl)piperidine-4-carboxamide
CID 43312913
(3S,6S)-1-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95585455
methyl 3-cyclopropyl-6-fluoro-1-benzothiophene-2-carboxylate
CID 59625710
2-[(2-chloro-4-fluorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 17461629
(1R)-4-(4-fluorophenyl)cyclohex-3-ene-1-carboxamide
CID 125489687
3-chloro-N'-(cyclopropanecarbonyl)-6-fluoro-1-benzothiophene-2-carbohydrazide
CID 26586793
2-[(4-fluorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3783108
(3R)-1-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)pyrrolidine-3-carboxamide
CID 94467335
(2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(3-fluorophenyl)methanone
CID 4868422
9-ethyl-6-fluoro-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid
CID 82121618

Frequently Asked Questions

What is the IUPAC name of (3S)-7-fluoro-1,2,3,4-tetrahydrodibenzothiophene-3-carboxamide?
The IUPAC name of (3S)-7-fluoro-1,2,3,4-tetrahydrodibenzothiophene-3-carboxamide (CID 129389178) is (3S)-7-fluoro-1,2,3,4-tetrahydrodibenzothiophene-3-carboxamide.
What is the SMILES notation for (3S)-7-fluoro-1,2,3,4-tetrahydrodibenzothiophene-3-carboxamide?
The canonical SMILES for (3S)-7-fluoro-1,2,3,4-tetrahydrodibenzothiophene-3-carboxamide is NC(=O)[C@H]1CCc2c(sc3cc(F)ccc23)C1.
What is the InChIKey of (3S)-7-fluoro-1,2,3,4-tetrahydrodibenzothiophene-3-carboxamide?
The InChIKey is WTEFZQXOGRVGCF-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H12FNOS/c14-8-2-4-10-9-3-1-7(13(15)16)5-11(9)17-12(10)6-8/h2,4,6-7H,1,3,5H2,(H2,15,16)/t7-/m0/s1.
What are the key properties of (3S)-7-fluoro-1,2,3,4-tetrahydrodibenzothiophene-3-carboxamide?
(3S)-7-fluoro-1,2,3,4-tetrahydrodibenzothiophene-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-fluoro-1,2,3,4-tetrahydrodibenzothiophene-3-carboxamide is sourced from PubChem (CID 129389178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).