6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonamide

C14H17ClN2O3S — CID 16473

💊View drug profile → clorexolone
IUPAC6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1Cl)CN(C1CCCCC1)C2=O
InChIInChI=1S/C14H17ClN2O3S/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,(H2,16,19,20)
InChIKeyVPMWFZKOWULPGT-UHFFFAOYSA-N
MW328.82 g/mol
LogP2.28
Rot. Bonds2

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

6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonamide (PubChem CID 16473) has the molecular formula C14H17ClN2O3S and a molecular weight of 328.82 g/mol. Its IUPAC name is 6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonamide
PubChem CID16473
Molecular FormulaC14H17ClN2O3S
Molecular Weight328.82 g/mol
Exact Mass328.06
IUPAC Name6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1Cl)CN(C1CCCCC1)C2=O
InChIInChI=1S/C14H17ClN2O3S/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,(H2,16,19,20)
InChIKeyVPMWFZKOWULPGT-UHFFFAOYSA-N
XLogP2.28
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 25005685
4-[2-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)ethyl]benzenesulfonamide
CID 137636505
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1-{[2-Chloro-5-(pyrrolidin-1-ylcarbonyl)phenyl]sulfonyl}piperidine
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonamide?
The IUPAC name of 6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonamide (CID 16473) is 6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonamide.
What is the SMILES notation for 6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonamide?
The canonical SMILES for 6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonamide is NS(=O)(=O)c1cc2c(cc1Cl)CN(C1CCCCC1)C2=O.
What is the InChIKey of 6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonamide?
The InChIKey is VPMWFZKOWULPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3S/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,(H2,16,19,20).
What are the key properties of 6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonamide?
6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonamide has a molecular weight of 328.82 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 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-sulfonamide is sourced from PubChem (CID 16473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).