1-(3-methylcyclohexyl)indole-3-sulfonyl chloride

C15H18ClNO2S — CID 113341476

IUPAC1-(3-methylcyclohexyl)indole-3-sulfonyl chloride
SMILESCC1CCCC(n2cc(S(=O)(=O)Cl)c3ccccc32)C1
InChIInChI=1S/C15H18ClNO2S/c1-11-5-4-6-12(9-11)17-10-15(20(16,18)19)13-7-2-3-8-14(13)17/h2-3,7-8,10-12H,4-6,9H2,1H3
InChIKeyBQDYJALCDGLNNS-UHFFFAOYSA-N
MW311.83 g/mol
LogP4.32
Rot. Bonds2

About 1-(3-methylcyclohexyl)indole-3-sulfonyl chloride

1-(3-methylcyclohexyl)indole-3-sulfonyl chloride (PubChem CID 113341476) has the molecular formula C15H18ClNO2S and a molecular weight of 311.83 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)indole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)indole-3-sulfonyl chloride
PubChem CID113341476
Molecular FormulaC15H18ClNO2S
Molecular Weight311.83 g/mol
Exact Mass311.07
IUPAC Name1-(3-methylcyclohexyl)indole-3-sulfonyl chloride
SMILESCC1CCCC(n2cc(S(=O)(=O)Cl)c3ccccc32)C1
InChIInChI=1S/C15H18ClNO2S/c1-11-5-4-6-12(9-11)17-10-15(20(16,18)19)13-7-2-3-8-14(13)17/h2-3,7-8,10-12H,4-6,9H2,1H3
InChIKeyBQDYJALCDGLNNS-UHFFFAOYSA-N
XLogP4.32
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)indole-3-sulfonyl chloride?
The IUPAC name of 1-(3-methylcyclohexyl)indole-3-sulfonyl chloride (CID 113341476) is 1-(3-methylcyclohexyl)indole-3-sulfonyl chloride.
What is the SMILES notation for 1-(3-methylcyclohexyl)indole-3-sulfonyl chloride?
The canonical SMILES for 1-(3-methylcyclohexyl)indole-3-sulfonyl chloride is CC1CCCC(n2cc(S(=O)(=O)Cl)c3ccccc32)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)indole-3-sulfonyl chloride?
The InChIKey is BQDYJALCDGLNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2S/c1-11-5-4-6-12(9-11)17-10-15(20(16,18)19)13-7-2-3-8-14(13)17/h2-3,7-8,10-12H,4-6,9H2,1H3.
What are the key properties of 1-(3-methylcyclohexyl)indole-3-sulfonyl chloride?
1-(3-methylcyclohexyl)indole-3-sulfonyl chloride has a molecular weight of 311.83 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)indole-3-sulfonyl chloride is sourced from PubChem (CID 113341476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).