2-methyl-1-[(5-methyloxolan-2-yl)methyl]indole-3-sulfonyl chloride

C15H18ClNO3S — CID 103136727

IUPAC2-methyl-1-[(5-methyloxolan-2-yl)methyl]indole-3-sulfonyl chloride
SMILESCc1c(S(=O)(=O)Cl)c2ccccc2n1CC1CCC(C)O1
InChIInChI=1S/C15H18ClNO3S/c1-10-7-8-12(20-10)9-17-11(2)15(21(16,18)19)13-5-3-4-6-14(13)17/h3-6,10,12H,7-9H2,1-2H3
InChIKeyAJEPAPUOXFGOHB-UHFFFAOYSA-N
MW327.83 g/mol
LogP3.44
Rot. Bonds3

About 2-methyl-1-[(5-methyloxolan-2-yl)methyl]indole-3-sulfonyl chloride

2-methyl-1-[(5-methyloxolan-2-yl)methyl]indole-3-sulfonyl chloride (PubChem CID 103136727) has the molecular formula C15H18ClNO3S and a molecular weight of 327.83 g/mol. Its IUPAC name is 2-methyl-1-[(5-methyloxolan-2-yl)methyl]indole-3-sulfonyl chloride.

Molecular Properties

Compound Name2-methyl-1-[(5-methyloxolan-2-yl)methyl]indole-3-sulfonyl chloride
PubChem CID103136727
Molecular FormulaC15H18ClNO3S
Molecular Weight327.83 g/mol
Exact Mass327.07
IUPAC Name2-methyl-1-[(5-methyloxolan-2-yl)methyl]indole-3-sulfonyl chloride
SMILESCc1c(S(=O)(=O)Cl)c2ccccc2n1CC1CCC(C)O1
InChIInChI=1S/C15H18ClNO3S/c1-10-7-8-12(20-10)9-17-11(2)15(21(16,18)19)13-5-3-4-6-14(13)17/h3-6,10,12H,7-9H2,1-2H3
InChIKeyAJEPAPUOXFGOHB-UHFFFAOYSA-N
XLogP3.44
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.83
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(5-methyloxolan-2-yl)methyl]indole-3-sulfonyl chloride?
The IUPAC name of 2-methyl-1-[(5-methyloxolan-2-yl)methyl]indole-3-sulfonyl chloride (CID 103136727) is 2-methyl-1-[(5-methyloxolan-2-yl)methyl]indole-3-sulfonyl chloride.
What is the SMILES notation for 2-methyl-1-[(5-methyloxolan-2-yl)methyl]indole-3-sulfonyl chloride?
The canonical SMILES for 2-methyl-1-[(5-methyloxolan-2-yl)methyl]indole-3-sulfonyl chloride is Cc1c(S(=O)(=O)Cl)c2ccccc2n1CC1CCC(C)O1.
What is the InChIKey of 2-methyl-1-[(5-methyloxolan-2-yl)methyl]indole-3-sulfonyl chloride?
The InChIKey is AJEPAPUOXFGOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3S/c1-10-7-8-12(20-10)9-17-11(2)15(21(16,18)19)13-5-3-4-6-14(13)17/h3-6,10,12H,7-9H2,1-2H3.
What are the key properties of 2-methyl-1-[(5-methyloxolan-2-yl)methyl]indole-3-sulfonyl chloride?
2-methyl-1-[(5-methyloxolan-2-yl)methyl]indole-3-sulfonyl chloride has a molecular weight of 327.83 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(5-methyloxolan-2-yl)methyl]indole-3-sulfonyl chloride is sourced from PubChem (CID 103136727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).