1-ethyl-2,3-dihydroindole-6-sulfonyl chloride

C10H12ClNO2S — CID 55279318

IUPAC1-ethyl-2,3-dihydroindole-6-sulfonyl chloride
SMILESCCN1CCc2ccc(S(=O)(=O)Cl)cc21
InChIInChI=1S/C10H12ClNO2S/c1-2-12-6-5-8-3-4-9(7-10(8)12)15(11,13)14/h3-4,7H,2,5-6H2,1H3
InChIKeyKCLSBDBVANBJPC-UHFFFAOYSA-N
MW245.73 g/mol
LogP2.00
Rot. Bonds2

About 1-ethyl-2,3-dihydroindole-6-sulfonyl chloride

1-ethyl-2,3-dihydroindole-6-sulfonyl chloride (PubChem CID 55279318) has the molecular formula C10H12ClNO2S and a molecular weight of 245.73 g/mol. Its IUPAC name is 1-ethyl-2,3-dihydroindole-6-sulfonyl chloride.

Molecular Properties

Compound Name1-ethyl-2,3-dihydroindole-6-sulfonyl chloride
PubChem CID55279318
Molecular FormulaC10H12ClNO2S
Molecular Weight245.73 g/mol
Exact Mass245.03
IUPAC Name1-ethyl-2,3-dihydroindole-6-sulfonyl chloride
SMILESCCN1CCc2ccc(S(=O)(=O)Cl)cc21
InChIInChI=1S/C10H12ClNO2S/c1-2-12-6-5-8-3-4-9(7-10(8)12)15(11,13)14/h3-4,7H,2,5-6H2,1H3
InChIKeyKCLSBDBVANBJPC-UHFFFAOYSA-N
XLogP2.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-dihydroindole-6-sulfonyl chloride?
The IUPAC name of 1-ethyl-2,3-dihydroindole-6-sulfonyl chloride (CID 55279318) is 1-ethyl-2,3-dihydroindole-6-sulfonyl chloride.
What is the SMILES notation for 1-ethyl-2,3-dihydroindole-6-sulfonyl chloride?
The canonical SMILES for 1-ethyl-2,3-dihydroindole-6-sulfonyl chloride is CCN1CCc2ccc(S(=O)(=O)Cl)cc21.
What is the InChIKey of 1-ethyl-2,3-dihydroindole-6-sulfonyl chloride?
The InChIKey is KCLSBDBVANBJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S/c1-2-12-6-5-8-3-4-9(7-10(8)12)15(11,13)14/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 1-ethyl-2,3-dihydroindole-6-sulfonyl chloride?
1-ethyl-2,3-dihydroindole-6-sulfonyl chloride has a molecular weight of 245.73 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-dihydroindole-6-sulfonyl chloride is sourced from PubChem (CID 55279318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).