4-chloro-1-(3-methylsulfonylcyclohexyl)indole

C15H18ClNO2S — CID 116623808

IUPAC4-chloro-1-(3-methylsulfonylcyclohexyl)indole
SMILESCS(=O)(=O)C1CCCC(n2ccc3c(Cl)cccc32)C1
InChIInChI=1S/C15H18ClNO2S/c1-20(18,19)12-5-2-4-11(10-12)17-9-8-13-14(16)6-3-7-15(13)17/h3,6-9,11-12H,2,4-5,10H2,1H3
InChIKeyPAKHPBNNLGWSDN-UHFFFAOYSA-N
MW311.83 g/mol
LogP3.82
Rot. Bonds2

About 4-chloro-1-(3-methylsulfonylcyclohexyl)indole

4-chloro-1-(3-methylsulfonylcyclohexyl)indole (PubChem CID 116623808) has the molecular formula C15H18ClNO2S and a molecular weight of 311.83 g/mol. Its IUPAC name is 4-chloro-1-(3-methylsulfonylcyclohexyl)indole.

Molecular Properties

Compound Name4-chloro-1-(3-methylsulfonylcyclohexyl)indole
PubChem CID116623808
Molecular FormulaC15H18ClNO2S
Molecular Weight311.83 g/mol
Exact Mass311.07
IUPAC Name4-chloro-1-(3-methylsulfonylcyclohexyl)indole
SMILESCS(=O)(=O)C1CCCC(n2ccc3c(Cl)cccc32)C1
InChIInChI=1S/C15H18ClNO2S/c1-20(18,19)12-5-2-4-11(10-12)17-9-8-13-14(16)6-3-7-15(13)17/h3,6-9,11-12H,2,4-5,10H2,1H3
InChIKeyPAKHPBNNLGWSDN-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-chloro-2-(3-methylsulfonylcyclohexyl)oxyphenyl]methanamine
CID 115951963
4,6-dichloro-1-(3-methoxycyclohexyl)indole
CID 103428154
1-(2,6-dichlorophenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90586568
1-chloro-2-(chloromethyl)-3-(3-methylsulfonylcyclohexyl)oxybenzene
CID 114320751
1-(3-methylcyclohexyl)indole-3-sulfonyl chloride
CID 113341476
(3-chloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol
CID 103443446
2-(1-cyclohexylindol-4-yl)-2-methylpropanoic acid
CID 117118593
4-bromo-2,3-dichloro-N-(3-methylsulfonylcyclohexyl)aniline
CID 107788960
4-chloro-1-methylindole;ethane
CID 142062846
(1-cyclopropylindol-4-yl)methanamine
CID 115017108
3,5-dichloro-4-fluoro-N-(3-methylsulfonylcyclohexyl)aniline
CID 107573956
1-(benzenesulfonyl)-4-chloroindole
CID 11716255

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3-methylsulfonylcyclohexyl)indole?
The IUPAC name of 4-chloro-1-(3-methylsulfonylcyclohexyl)indole (CID 116623808) is 4-chloro-1-(3-methylsulfonylcyclohexyl)indole.
What is the SMILES notation for 4-chloro-1-(3-methylsulfonylcyclohexyl)indole?
The canonical SMILES for 4-chloro-1-(3-methylsulfonylcyclohexyl)indole is CS(=O)(=O)C1CCCC(n2ccc3c(Cl)cccc32)C1.
What is the InChIKey of 4-chloro-1-(3-methylsulfonylcyclohexyl)indole?
The InChIKey is PAKHPBNNLGWSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2S/c1-20(18,19)12-5-2-4-11(10-12)17-9-8-13-14(16)6-3-7-15(13)17/h3,6-9,11-12H,2,4-5,10H2,1H3.
What are the key properties of 4-chloro-1-(3-methylsulfonylcyclohexyl)indole?
4-chloro-1-(3-methylsulfonylcyclohexyl)indole has a molecular weight of 311.83 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3-methylsulfonylcyclohexyl)indole is sourced from PubChem (CID 116623808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).