N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanesulfonamide

C17H22N2O3S — CID 162650323

IUPACN-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanesulfonamide
SMILESCC(C)=C1C(=O)Nc2ccc(NS(=O)(=O)C3CCCCC3)cc21
InChIInChI=1S/C17H22N2O3S/c1-11(2)16-14-10-12(8-9-15(14)18-17(16)20)19-23(21,22)13-6-4-3-5-7-13/h8-10,13,19H,3-7H2,1-2H3,(H,18,20)
InChIKeyIPCFHSQPPLWJHU-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.51
Rot. Bonds3

About N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanesulfonamide

N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanesulfonamide (PubChem CID 162650323) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanesulfonamide
PubChem CID162650323
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanesulfonamide
SMILESCC(C)=C1C(=O)Nc2ccc(NS(=O)(=O)C3CCCCC3)cc21
InChIInChI=1S/C17H22N2O3S/c1-11(2)16-14-10-12(8-9-15(14)18-17(16)20)19-23(21,22)13-6-4-3-5-7-13/h8-10,13,19H,3-7H2,1-2H3,(H,18,20)
InChIKeyIPCFHSQPPLWJHU-UHFFFAOYSA-N
XLogP3.51
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanesulfonamide?
The IUPAC name of N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanesulfonamide (CID 162650323) is N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanesulfonamide.
What is the SMILES notation for N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanesulfonamide?
The canonical SMILES for N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanesulfonamide is CC(C)=C1C(=O)Nc2ccc(NS(=O)(=O)C3CCCCC3)cc21.
What is the InChIKey of N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanesulfonamide?
The InChIKey is IPCFHSQPPLWJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-11(2)16-14-10-12(8-9-15(14)18-17(16)20)19-23(21,22)13-6-4-3-5-7-13/h8-10,13,19H,3-7H2,1-2H3,(H,18,20).
What are the key properties of N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanesulfonamide?
N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanesulfonamide is sourced from PubChem (CID 162650323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).