N-(1-cyclohexylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide

C16H24N2O2S — CID 107422097

IUPACN-(1-cyclohexylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc2c(c1)CNC2)C1CCCCC1
InChIInChI=1S/C16H24N2O2S/c1-12(13-5-3-2-4-6-13)18-21(19,20)16-8-7-14-10-17-11-15(14)9-16/h7-9,12-13,17-18H,2-6,10-11H2,1H3
InChIKeyCLMBBQQQBWTQID-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.54
Rot. Bonds4

About N-(1-cyclohexylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide

N-(1-cyclohexylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 107422097) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID107422097
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-(1-cyclohexylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc2c(c1)CNC2)C1CCCCC1
InChIInChI=1S/C16H24N2O2S/c1-12(13-5-3-2-4-6-13)18-21(19,20)16-8-7-14-10-17-11-15(14)9-16/h7-9,12-13,17-18H,2-6,10-11H2,1H3
InChIKeyCLMBBQQQBWTQID-UHFFFAOYSA-N
XLogP2.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-chloro-N-(1-cyclohexylethyl)benzenesulfonamide
CID 106612198
N-[(1R)-1-cycloheptylethyl]benzenesulfonamide
CID 81393099
N-pentan-3-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421711
3-amino-N-(1-cyclohexylethyl)benzenesulfonamide
CID 62406253
N-[(1S)-1-cyclopentylethyl]benzenesulfonamide
CID 81388674
4-bromo-N-(1-cyclopentylethyl)-3-fluorobenzenesulfonamide
CID 103697627
4-(aminomethyl)-N-(1-cyclohexylethyl)-3-methylbenzenesulfonamide
CID 106919354
4-amino-N-(1-cyclohexylethyl)-3-methoxybenzenesulfonamide
CID 81440565
3-chloro-N-(1-cyclohexylethyl)-4-nitrobenzenesulfonamide
CID 167339915
N-heptan-2-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421973
4-cyano-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide
CID 106833286
2-chloro-5-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoic acid
CID 81389268

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-(1-cyclohexylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 107422097) is N-(1-cyclohexylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-(1-cyclohexylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-(1-cyclohexylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide is CC(NS(=O)(=O)c1ccc2c(c1)CNC2)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is CLMBBQQQBWTQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-12(13-5-3-2-4-6-13)18-21(19,20)16-8-7-14-10-17-11-15(14)9-16/h7-9,12-13,17-18H,2-6,10-11H2,1H3.
What are the key properties of N-(1-cyclohexylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-(1-cyclohexylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 308.45 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 107422097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).