(2-chloro-5-sulfanylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone

C15H11ClFNOS — CID 107037112

IUPAC(2-chloro-5-sulfanylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1cc(S)ccc1Cl)N1CCc2ccc(F)cc21
InChIInChI=1S/C15H11ClFNOS/c16-13-4-3-11(20)8-12(13)15(19)18-6-5-9-1-2-10(17)7-14(9)18/h1-4,7-8,20H,5-6H2
InChIKeyCXDMDHPZHPZXIK-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.97
Rot. Bonds1

About (2-chloro-5-sulfanylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone

(2-chloro-5-sulfanylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone (PubChem CID 107037112) has the molecular formula C15H11ClFNOS and a molecular weight of 307.78 g/mol. Its IUPAC name is (2-chloro-5-sulfanylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-5-sulfanylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
PubChem CID107037112
Molecular FormulaC15H11ClFNOS
Molecular Weight307.78 g/mol
Exact Mass307.02
IUPAC Name(2-chloro-5-sulfanylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1cc(S)ccc1Cl)N1CCc2ccc(F)cc21
InChIInChI=1S/C15H11ClFNOS/c16-13-4-3-11(20)8-12(13)15(19)18-6-5-9-1-2-10(17)7-14(9)18/h1-4,7-8,20H,5-6H2
InChIKeyCXDMDHPZHPZXIK-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-chloro-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103872831
(3-chloro-4-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103714816
(2,4-diaminophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493819
(3-amino-4-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103502191
(2-chloro-5-sulfanylphenyl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 107030694
2,3-dihydro-1H-indol-6-yl-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103495318
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-fluorophenyl)methanone
CID 62266898
(5-bromofuran-2-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 113228436
(5-bromothiophen-2-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 113228439
(6-fluoro-2,3-dihydroindol-1-yl)-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 103502364
(4-amino-2-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103502157
(6-fluoro-2,3-dihydroindol-1-yl)-(1H-indol-4-yl)methanone
CID 103720917

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-sulfanylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (2-chloro-5-sulfanylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone (CID 107037112) is (2-chloro-5-sulfanylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (2-chloro-5-sulfanylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (2-chloro-5-sulfanylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone is O=C(c1cc(S)ccc1Cl)N1CCc2ccc(F)cc21.
What is the InChIKey of (2-chloro-5-sulfanylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is CXDMDHPZHPZXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNOS/c16-13-4-3-11(20)8-12(13)15(19)18-6-5-9-1-2-10(17)7-14(9)18/h1-4,7-8,20H,5-6H2.
What are the key properties of (2-chloro-5-sulfanylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
(2-chloro-5-sulfanylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 307.78 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-sulfanylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 107037112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).