1-(3-methoxy-3-methylbutyl)-2-methylindole-3-sulfonyl chloride

C15H20ClNO3S — CID 103036318

IUPAC1-(3-methoxy-3-methylbutyl)-2-methylindole-3-sulfonyl chloride
SMILESCOC(C)(C)CCn1c(C)c(S(=O)(=O)Cl)c2ccccc21
InChIInChI=1S/C15H20ClNO3S/c1-11-14(21(16,18)19)12-7-5-6-8-13(12)17(11)10-9-15(2,3)20-4/h5-8H,9-10H2,1-4H3
InChIKeyVVGJDPFQOOJLBG-UHFFFAOYSA-N
MW329.85 g/mol
LogP3.69
Rot. Bonds5

About 1-(3-methoxy-3-methylbutyl)-2-methylindole-3-sulfonyl chloride

1-(3-methoxy-3-methylbutyl)-2-methylindole-3-sulfonyl chloride (PubChem CID 103036318) has the molecular formula C15H20ClNO3S and a molecular weight of 329.85 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylbutyl)-2-methylindole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(3-methoxy-3-methylbutyl)-2-methylindole-3-sulfonyl chloride
PubChem CID103036318
Molecular FormulaC15H20ClNO3S
Molecular Weight329.85 g/mol
Exact Mass329.09
IUPAC Name1-(3-methoxy-3-methylbutyl)-2-methylindole-3-sulfonyl chloride
SMILESCOC(C)(C)CCn1c(C)c(S(=O)(=O)Cl)c2ccccc21
InChIInChI=1S/C15H20ClNO3S/c1-11-14(21(16,18)19)12-7-5-6-8-13(12)17(11)10-9-15(2,3)20-4/h5-8H,9-10H2,1-4H3
InChIKeyVVGJDPFQOOJLBG-UHFFFAOYSA-N
XLogP3.69
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(2-methylbutyl)indole-3-sulfonyl chloride
CID 82696122
1-(2-fluoroethyl)-2-methylindole-3-sulfonamide
CID 82696370
tert-butyl 3-chlorosulfonyl-2-methylindole-1-carboxylate
CID 87196457
2-methyl-1-[(5-methyloxolan-2-yl)methyl]indole-3-sulfonyl chloride
CID 103136727
1-(3-methoxy-3-methylbutyl)-4-oxoquinoline-3-carboxylic acid
CID 103034248
1-(2-ethylsulfanylethyl)-2-methylindole-3-sulfonamide
CID 113474823
2-(2-methyl-3-sulfamoylindol-1-yl)acetic acid
CID 82696049
1-(3-methoxypropyl)-2-methylindole-3-carbaldehyde
CID 59177546
1-methylindole-3-sulfonyl chloride
CID 55280184
1,2-dimethylindole-3-sulfonyl fluoride
CID 82287934
2-methylnaphthalene-1-sulfonyl chloride
CID 18388568
1-[3-(2-methoxyphenoxy)propyl]-2-methylindole-3-carbaldehyde
CID 2197795

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylbutyl)-2-methylindole-3-sulfonyl chloride?
The IUPAC name of 1-(3-methoxy-3-methylbutyl)-2-methylindole-3-sulfonyl chloride (CID 103036318) is 1-(3-methoxy-3-methylbutyl)-2-methylindole-3-sulfonyl chloride.
What is the SMILES notation for 1-(3-methoxy-3-methylbutyl)-2-methylindole-3-sulfonyl chloride?
The canonical SMILES for 1-(3-methoxy-3-methylbutyl)-2-methylindole-3-sulfonyl chloride is COC(C)(C)CCn1c(C)c(S(=O)(=O)Cl)c2ccccc21.
What is the InChIKey of 1-(3-methoxy-3-methylbutyl)-2-methylindole-3-sulfonyl chloride?
The InChIKey is VVGJDPFQOOJLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3S/c1-11-14(21(16,18)19)12-7-5-6-8-13(12)17(11)10-9-15(2,3)20-4/h5-8H,9-10H2,1-4H3.
What are the key properties of 1-(3-methoxy-3-methylbutyl)-2-methylindole-3-sulfonyl chloride?
1-(3-methoxy-3-methylbutyl)-2-methylindole-3-sulfonyl chloride has a molecular weight of 329.85 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylbutyl)-2-methylindole-3-sulfonyl chloride is sourced from PubChem (CID 103036318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).