6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonyl chloride

C14H15Cl2NO3S — CID 134990448

IUPAC6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonyl chloride
SMILESO=C1c2cc(S(=O)(=O)Cl)c(Cl)cc2CN1C1CCCCC1
InChIInChI=1S/C14H15Cl2NO3S/c15-12-6-9-8-17(10-4-2-1-3-5-10)14(18)11(9)7-13(12)21(16,19)20/h6-7,10H,1-5,8H2
InChIKeyILXGSOOBMXPZAI-UHFFFAOYSA-N
MW348.25 g/mol
LogP3.56
Rot. Bonds2

About 6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonyl chloride

6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonyl chloride (PubChem CID 134990448) has the molecular formula C14H15Cl2NO3S and a molecular weight of 348.25 g/mol. Its IUPAC name is 6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonyl chloride.

Molecular Properties

Compound Name6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonyl chloride
PubChem CID134990448
Molecular FormulaC14H15Cl2NO3S
Molecular Weight348.25 g/mol
Exact Mass347.01
IUPAC Name6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonyl chloride
SMILESO=C1c2cc(S(=O)(=O)Cl)c(Cl)cc2CN1C1CCCCC1
InChIInChI=1S/C14H15Cl2NO3S/c15-12-6-9-8-17(10-4-2-1-3-5-10)14(18)11(9)7-13(12)21(16,19)20/h6-7,10H,1-5,8H2
InChIKeyILXGSOOBMXPZAI-UHFFFAOYSA-N
XLogP3.56
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-cyclohexyl-5-nitro-3H-isoindol-1-one
CID 164568147
6-chloro-2-cyclohexyl-5-nitro-3H-isoindol-1-one;methanol
CID 164568146
4-[(6-chloro-2-cyclohexyl-1-oxo-3H-isoindol-5-yl)oxy]butanoic acid
CID 10020865
6-chloro-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-5-sulfonamide;hydrate;hydrochloride
CID 70478439
2-cyclohexyl-6-(4-methylpiperazin-1-yl)-3H-isoindol-1-one
CID 21129747
6-chloro-3-oxo-2-[1-[(4-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-1H-isoindole-5-sulfonamide
CID 13370617
4-chloro-N-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)benzamide
CID 58707854
2-cyclopropyl-1-oxo-3H-isoindole-5-sulfonamide
CID 174935951
2-cyclopropyl-3-oxo-1H-isoindole-5-carbaldehyde
CID 83819356
2-cyclohexyl-6-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]-3H-isoindol-1-one
CID 12043715
2,4-dichloro-5-(cyclohexylcarbamoyl)benzenesulfonyl chloride
CID 65367352
2-cyclopentyl-5-[(3-phenylphenyl)methoxy]-3H-isoindol-1-one
CID 53390601

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonyl chloride?
The IUPAC name of 6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonyl chloride (CID 134990448) is 6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonyl chloride.
What is the SMILES notation for 6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonyl chloride?
The canonical SMILES for 6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonyl chloride is O=C1c2cc(S(=O)(=O)Cl)c(Cl)cc2CN1C1CCCCC1.
What is the InChIKey of 6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonyl chloride?
The InChIKey is ILXGSOOBMXPZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO3S/c15-12-6-9-8-17(10-4-2-1-3-5-10)14(18)11(9)7-13(12)21(16,19)20/h6-7,10H,1-5,8H2.
What are the key properties of 6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonyl chloride?
6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonyl chloride has a molecular weight of 348.25 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonyl chloride is sourced from PubChem (CID 134990448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).