4-ethoxy-1-(2-methylpropyl)indole-3-sulfonyl chloride

C14H18ClNO3S — CID 83163521

IUPAC4-ethoxy-1-(2-methylpropyl)indole-3-sulfonyl chloride
SMILESCCOc1cccc2c1c(S(=O)(=O)Cl)cn2CC(C)C
InChIInChI=1S/C14H18ClNO3S/c1-4-19-12-7-5-6-11-14(12)13(20(15,17)18)9-16(11)8-10(2)3/h5-7,9-10H,4,8H2,1-3H3
InChIKeyWUCGCFWVHOOBEH-UHFFFAOYSA-N
MW315.82 g/mol
LogP3.62
Rot. Bonds5

About 4-ethoxy-1-(2-methylpropyl)indole-3-sulfonyl chloride

4-ethoxy-1-(2-methylpropyl)indole-3-sulfonyl chloride (PubChem CID 83163521) has the molecular formula C14H18ClNO3S and a molecular weight of 315.82 g/mol. Its IUPAC name is 4-ethoxy-1-(2-methylpropyl)indole-3-sulfonyl chloride.

Molecular Properties

Compound Name4-ethoxy-1-(2-methylpropyl)indole-3-sulfonyl chloride
PubChem CID83163521
Molecular FormulaC14H18ClNO3S
Molecular Weight315.82 g/mol
Exact Mass315.07
IUPAC Name4-ethoxy-1-(2-methylpropyl)indole-3-sulfonyl chloride
SMILESCCOc1cccc2c1c(S(=O)(=O)Cl)cn2CC(C)C
InChIInChI=1S/C14H18ClNO3S/c1-4-19-12-7-5-6-11-14(12)13(20(15,17)18)9-16(11)8-10(2)3/h5-7,9-10H,4,8H2,1-3H3
InChIKeyWUCGCFWVHOOBEH-UHFFFAOYSA-N
XLogP3.62
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(2-methylpropyl)indole-3-sulfonyl chloride?
The IUPAC name of 4-ethoxy-1-(2-methylpropyl)indole-3-sulfonyl chloride (CID 83163521) is 4-ethoxy-1-(2-methylpropyl)indole-3-sulfonyl chloride.
What is the SMILES notation for 4-ethoxy-1-(2-methylpropyl)indole-3-sulfonyl chloride?
The canonical SMILES for 4-ethoxy-1-(2-methylpropyl)indole-3-sulfonyl chloride is CCOc1cccc2c1c(S(=O)(=O)Cl)cn2CC(C)C.
What is the InChIKey of 4-ethoxy-1-(2-methylpropyl)indole-3-sulfonyl chloride?
The InChIKey is WUCGCFWVHOOBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3S/c1-4-19-12-7-5-6-11-14(12)13(20(15,17)18)9-16(11)8-10(2)3/h5-7,9-10H,4,8H2,1-3H3.
What are the key properties of 4-ethoxy-1-(2-methylpropyl)indole-3-sulfonyl chloride?
4-ethoxy-1-(2-methylpropyl)indole-3-sulfonyl chloride has a molecular weight of 315.82 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(2-methylpropyl)indole-3-sulfonyl chloride is sourced from PubChem (CID 83163521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).