1-[2-(chloromethyl)thiophen-3-yl]sulfonyl-6-fluoro-2,3-dihydroindole

C13H11ClFNO2S2 — CID 103504169

IUPAC1-[2-(chloromethyl)thiophen-3-yl]sulfonyl-6-fluoro-2,3-dihydroindole
SMILESO=S(=O)(c1ccsc1CCl)N1CCc2ccc(F)cc21
InChIInChI=1S/C13H11ClFNO2S2/c14-8-12-13(4-6-19-12)20(17,18)16-5-3-9-1-2-10(15)7-11(9)16/h1-2,4,6-7H,3,5,8H2
InChIKeyQZCJWVCGBJXWHV-UHFFFAOYSA-N
MW331.82 g/mol
LogP3.38
Rot. Bonds3

About 1-[2-(chloromethyl)thiophen-3-yl]sulfonyl-6-fluoro-2,3-dihydroindole

1-[2-(chloromethyl)thiophen-3-yl]sulfonyl-6-fluoro-2,3-dihydroindole (PubChem CID 103504169) has the molecular formula C13H11ClFNO2S2 and a molecular weight of 331.82 g/mol. Its IUPAC name is 1-[2-(chloromethyl)thiophen-3-yl]sulfonyl-6-fluoro-2,3-dihydroindole.

Molecular Properties

Compound Name1-[2-(chloromethyl)thiophen-3-yl]sulfonyl-6-fluoro-2,3-dihydroindole
PubChem CID103504169
Molecular FormulaC13H11ClFNO2S2
Molecular Weight331.82 g/mol
Exact Mass330.99
IUPAC Name1-[2-(chloromethyl)thiophen-3-yl]sulfonyl-6-fluoro-2,3-dihydroindole
SMILESO=S(=O)(c1ccsc1CCl)N1CCc2ccc(F)cc21
InChIInChI=1S/C13H11ClFNO2S2/c14-8-12-13(4-6-19-12)20(17,18)16-5-3-9-1-2-10(15)7-11(9)16/h1-2,4,6-7H,3,5,8H2
InChIKeyQZCJWVCGBJXWHV-UHFFFAOYSA-N
XLogP3.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]ethanamine
CID 103495195
[4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanamine
CID 103495192
1-(3-chloro-2-methylpropyl)sulfonyl-6-fluoro-2,3-dihydroindole
CID 113249349
1-[2-(chloromethyl)thiophen-3-yl]sulfonylazepane
CID 29022148
5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]thiophene-2-carboxylic acid
CID 103717309
3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenol
CID 103499722
1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-6-methyl-2,3-dihydroindole
CID 86887975
3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-methylpropan-1-amine
CID 103504259
2-amino-4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenol
CID 103493859
6-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole
CID 60603664
2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]butan-1-amine
CID 103495190
2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-methylpropan-1-amine
CID 103504239

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)thiophen-3-yl]sulfonyl-6-fluoro-2,3-dihydroindole?
The IUPAC name of 1-[2-(chloromethyl)thiophen-3-yl]sulfonyl-6-fluoro-2,3-dihydroindole (CID 103504169) is 1-[2-(chloromethyl)thiophen-3-yl]sulfonyl-6-fluoro-2,3-dihydroindole.
What is the SMILES notation for 1-[2-(chloromethyl)thiophen-3-yl]sulfonyl-6-fluoro-2,3-dihydroindole?
The canonical SMILES for 1-[2-(chloromethyl)thiophen-3-yl]sulfonyl-6-fluoro-2,3-dihydroindole is O=S(=O)(c1ccsc1CCl)N1CCc2ccc(F)cc21.
What is the InChIKey of 1-[2-(chloromethyl)thiophen-3-yl]sulfonyl-6-fluoro-2,3-dihydroindole?
The InChIKey is QZCJWVCGBJXWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO2S2/c14-8-12-13(4-6-19-12)20(17,18)16-5-3-9-1-2-10(15)7-11(9)16/h1-2,4,6-7H,3,5,8H2.
What are the key properties of 1-[2-(chloromethyl)thiophen-3-yl]sulfonyl-6-fluoro-2,3-dihydroindole?
1-[2-(chloromethyl)thiophen-3-yl]sulfonyl-6-fluoro-2,3-dihydroindole has a molecular weight of 331.82 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)thiophen-3-yl]sulfonyl-6-fluoro-2,3-dihydroindole is sourced from PubChem (CID 103504169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).