N-cyclohexyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide

C16H20N2O4S — CID 23005465

IUPACN-cyclohexyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide
SMILESO=C1c2ccccc2C(=O)N1CCS(=O)(=O)NC1CCCCC1
InChIInChI=1S/C16H20N2O4S/c19-15-13-8-4-5-9-14(13)16(20)18(15)10-11-23(21,22)17-12-6-2-1-3-7-12/h4-5,8-9,12,17H,1-3,6-7,10-11H2
InChIKeyHUBFZOUQCVWPEJ-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.53
Rot. Bonds5

About N-cyclohexyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide

N-cyclohexyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide (PubChem CID 23005465) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is N-cyclohexyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide
PubChem CID23005465
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN-cyclohexyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide
SMILESO=C1c2ccccc2C(=O)N1CCS(=O)(=O)NC1CCCCC1
InChIInChI=1S/C16H20N2O4S/c19-15-13-8-4-5-9-14(13)16(20)18(15)10-11-23(21,22)17-12-6-2-1-3-7-12/h4-5,8-9,12,17H,1-3,6-7,10-11H2
InChIKeyHUBFZOUQCVWPEJ-UHFFFAOYSA-N
XLogP1.53
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide
CID 66624402
benzyl (3S)-3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonylamino]piperidine-1-carboxylate
CID 125499396
2-(1,3-dioxoisoindol-2-yl)ethanesulfonohydrazide
CID 83813899
2-[4-(cyclopentylamino)butyl]isoindole-1,3-dione
CID 119156682
N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]butane-1-sulfonamide
CID 108566307
2-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-2-piperidin-1-ylethyl)ethanesulfonamide
CID 110312688
2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)ethanesulfonamide
CID 617178
2-(1,3-dioxoisoindol-2-yl)-N-(4-iodophenyl)ethanesulfonamide
CID 45379603
N-(2-amino-1-cyclopentylethyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide;hydrochloride
CID 120713685
1-cyclohexyl-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-methylguanidine
CID 110956996
2-(2-pyrrolidin-1-ylsulfonylethyl)isoindole-1,3-dione
CID 17422099
2-[3-[3-(methylamino)piperidin-1-yl]sulfonylpropyl]isoindole-1,3-dione
CID 120715473

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide?
The IUPAC name of N-cyclohexyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide (CID 23005465) is N-cyclohexyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide.
What is the SMILES notation for N-cyclohexyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide?
The canonical SMILES for N-cyclohexyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide is O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide?
The InChIKey is HUBFZOUQCVWPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c19-15-13-8-4-5-9-14(13)16(20)18(15)10-11-23(21,22)17-12-6-2-1-3-7-12/h4-5,8-9,12,17H,1-3,6-7,10-11H2.
What are the key properties of N-cyclohexyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide?
N-cyclohexyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide has a molecular weight of 336.41 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide is sourced from PubChem (CID 23005465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).