4-methoxy-1-propylindole-3-sulfonyl chloride

C12H14ClNO3S — CID 83162428

IUPAC4-methoxy-1-propylindole-3-sulfonyl chloride
SMILESCCCn1cc(S(=O)(=O)Cl)c2c(OC)cccc21
InChIInChI=1S/C12H14ClNO3S/c1-3-7-14-8-11(18(13,15)16)12-9(14)5-4-6-10(12)17-2/h4-6,8H,3,7H2,1-2H3
InChIKeyLZIHMIMQMGBYKS-UHFFFAOYSA-N
MW287.77 g/mol
LogP2.99
Rot. Bonds4

About 4-methoxy-1-propylindole-3-sulfonyl chloride

4-methoxy-1-propylindole-3-sulfonyl chloride (PubChem CID 83162428) has the molecular formula C12H14ClNO3S and a molecular weight of 287.77 g/mol. Its IUPAC name is 4-methoxy-1-propylindole-3-sulfonyl chloride.

Molecular Properties

Compound Name4-methoxy-1-propylindole-3-sulfonyl chloride
PubChem CID83162428
Molecular FormulaC12H14ClNO3S
Molecular Weight287.77 g/mol
Exact Mass287.04
IUPAC Name4-methoxy-1-propylindole-3-sulfonyl chloride
SMILESCCCn1cc(S(=O)(=O)Cl)c2c(OC)cccc21
InChIInChI=1S/C12H14ClNO3S/c1-3-7-14-8-11(18(13,15)16)12-9(14)5-4-6-10(12)17-2/h4-6,8H,3,7H2,1-2H3
InChIKeyLZIHMIMQMGBYKS-UHFFFAOYSA-N
XLogP2.99
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-propylindole-3-sulfonyl chloride?
The IUPAC name of 4-methoxy-1-propylindole-3-sulfonyl chloride (CID 83162428) is 4-methoxy-1-propylindole-3-sulfonyl chloride.
What is the SMILES notation for 4-methoxy-1-propylindole-3-sulfonyl chloride?
The canonical SMILES for 4-methoxy-1-propylindole-3-sulfonyl chloride is CCCn1cc(S(=O)(=O)Cl)c2c(OC)cccc21.
What is the InChIKey of 4-methoxy-1-propylindole-3-sulfonyl chloride?
The InChIKey is LZIHMIMQMGBYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3S/c1-3-7-14-8-11(18(13,15)16)12-9(14)5-4-6-10(12)17-2/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 4-methoxy-1-propylindole-3-sulfonyl chloride?
4-methoxy-1-propylindole-3-sulfonyl chloride has a molecular weight of 287.77 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-propylindole-3-sulfonyl chloride is sourced from PubChem (CID 83162428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).