1-pent-4-enylindole-3-sulfonyl chloride

C13H14ClNO2S — CID 82914607

IUPAC1-pent-4-enylindole-3-sulfonyl chloride
SMILESC=CCCCn1cc(S(=O)(=O)Cl)c2ccccc21
InChIInChI=1S/C13H14ClNO2S/c1-2-3-6-9-15-10-13(18(14,16)17)11-7-4-5-8-12(11)15/h2,4-5,7-8,10H,1,3,6,9H2
InChIKeyZAFQWOVNIAMSIP-UHFFFAOYSA-N
MW283.78 g/mol
LogP3.54
Rot. Bonds5

About 1-pent-4-enylindole-3-sulfonyl chloride

1-pent-4-enylindole-3-sulfonyl chloride (PubChem CID 82914607) has the molecular formula C13H14ClNO2S and a molecular weight of 283.78 g/mol. Its IUPAC name is 1-pent-4-enylindole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-pent-4-enylindole-3-sulfonyl chloride
PubChem CID82914607
Molecular FormulaC13H14ClNO2S
Molecular Weight283.78 g/mol
Exact Mass283.04
IUPAC Name1-pent-4-enylindole-3-sulfonyl chloride
SMILESC=CCCCn1cc(S(=O)(=O)Cl)c2ccccc21
InChIInChI=1S/C13H14ClNO2S/c1-2-3-6-9-15-10-13(18(14,16)17)11-7-4-5-8-12(11)15/h2,4-5,7-8,10H,1,3,6,9H2
InChIKeyZAFQWOVNIAMSIP-UHFFFAOYSA-N
XLogP3.54
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pent-4-enylindole-3-sulfonyl chloride?
The IUPAC name of 1-pent-4-enylindole-3-sulfonyl chloride (CID 82914607) is 1-pent-4-enylindole-3-sulfonyl chloride.
What is the SMILES notation for 1-pent-4-enylindole-3-sulfonyl chloride?
The canonical SMILES for 1-pent-4-enylindole-3-sulfonyl chloride is C=CCCCn1cc(S(=O)(=O)Cl)c2ccccc21.
What is the InChIKey of 1-pent-4-enylindole-3-sulfonyl chloride?
The InChIKey is ZAFQWOVNIAMSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2S/c1-2-3-6-9-15-10-13(18(14,16)17)11-7-4-5-8-12(11)15/h2,4-5,7-8,10H,1,3,6,9H2.
What are the key properties of 1-pent-4-enylindole-3-sulfonyl chloride?
1-pent-4-enylindole-3-sulfonyl chloride has a molecular weight of 283.78 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-enylindole-3-sulfonyl chloride is sourced from PubChem (CID 82914607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).