1-(2-methoxyethyl)-4-propan-2-yloxyindole-3-sulfonyl chloride

C14H18ClNO4S — CID 83165314

IUPAC1-(2-methoxyethyl)-4-propan-2-yloxyindole-3-sulfonyl chloride
SMILESCOCCn1cc(S(=O)(=O)Cl)c2c(OC(C)C)cccc21
InChIInChI=1S/C14H18ClNO4S/c1-10(2)20-12-6-4-5-11-14(12)13(21(15,17)18)9-16(11)7-8-19-3/h4-6,9-10H,7-8H2,1-3H3
InChIKeyONQLBMQBPJIQJS-UHFFFAOYSA-N
MW331.82 g/mol
LogP3.00
Rot. Bonds6

About 1-(2-methoxyethyl)-4-propan-2-yloxyindole-3-sulfonyl chloride

1-(2-methoxyethyl)-4-propan-2-yloxyindole-3-sulfonyl chloride (PubChem CID 83165314) has the molecular formula C14H18ClNO4S and a molecular weight of 331.82 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-propan-2-yloxyindole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-propan-2-yloxyindole-3-sulfonyl chloride
PubChem CID83165314
Molecular FormulaC14H18ClNO4S
Molecular Weight331.82 g/mol
Exact Mass331.06
IUPAC Name1-(2-methoxyethyl)-4-propan-2-yloxyindole-3-sulfonyl chloride
SMILESCOCCn1cc(S(=O)(=O)Cl)c2c(OC(C)C)cccc21
InChIInChI=1S/C14H18ClNO4S/c1-10(2)20-12-6-4-5-11-14(12)13(21(15,17)18)9-16(11)7-8-19-3/h4-6,9-10H,7-8H2,1-3H3
InChIKeyONQLBMQBPJIQJS-UHFFFAOYSA-N
XLogP3.00
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-propan-2-yloxyindole-3-sulfonyl chloride?
The IUPAC name of 1-(2-methoxyethyl)-4-propan-2-yloxyindole-3-sulfonyl chloride (CID 83165314) is 1-(2-methoxyethyl)-4-propan-2-yloxyindole-3-sulfonyl chloride.
What is the SMILES notation for 1-(2-methoxyethyl)-4-propan-2-yloxyindole-3-sulfonyl chloride?
The canonical SMILES for 1-(2-methoxyethyl)-4-propan-2-yloxyindole-3-sulfonyl chloride is COCCn1cc(S(=O)(=O)Cl)c2c(OC(C)C)cccc21.
What is the InChIKey of 1-(2-methoxyethyl)-4-propan-2-yloxyindole-3-sulfonyl chloride?
The InChIKey is ONQLBMQBPJIQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4S/c1-10(2)20-12-6-4-5-11-14(12)13(21(15,17)18)9-16(11)7-8-19-3/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-4-propan-2-yloxyindole-3-sulfonyl chloride?
1-(2-methoxyethyl)-4-propan-2-yloxyindole-3-sulfonyl chloride has a molecular weight of 331.82 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-propan-2-yloxyindole-3-sulfonyl chloride is sourced from PubChem (CID 83165314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).