N-cyclohexyl-2,3-dioxo-1H-indole-5-sulfonamide

C14H16N2O4S — CID 5115250

IUPACN-cyclohexyl-2,3-dioxo-1H-indole-5-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2C1=O
InChIInChI=1S/C14H16N2O4S/c17-13-11-8-10(6-7-12(11)15-14(13)18)21(19,20)16-9-4-2-1-3-5-9/h6-9,16H,1-5H2,(H,15,17,18)
InChIKeyVTPAKCGQCUMCNI-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.43
Rot. Bonds3

About N-cyclohexyl-2,3-dioxo-1H-indole-5-sulfonamide

N-cyclohexyl-2,3-dioxo-1H-indole-5-sulfonamide (PubChem CID 5115250) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-cyclohexyl-2,3-dioxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-2,3-dioxo-1H-indole-5-sulfonamide
PubChem CID5115250
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC NameN-cyclohexyl-2,3-dioxo-1H-indole-5-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2C1=O
InChIInChI=1S/C14H16N2O4S/c17-13-11-8-10(6-7-12(11)15-14(13)18)21(19,20)16-9-4-2-1-3-5-9/h6-9,16H,1-5H2,(H,15,17,18)
InChIKeyVTPAKCGQCUMCNI-UHFFFAOYSA-N
XLogP1.43
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 20858702
N-cyclooctyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 20927826
N-cyclopentyl-3-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
CID 46271707
N-(4-methylcyclohexyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
CID 50760174
N-cycloheptyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8777926
N-cyclooctyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 22550000
N-cyclohexyl-3,4-difluorobenzenesulfonamide
CID 19681091
N-cyclooctyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 39886497
N-cycloheptyl-2-oxo-1H-quinoline-6-sulfonamide
CID 22548526
N-cycloheptyl-4-(methylamino)benzenesulfonamide
CID 15049673
2,3-dioxo-1H-indole-5-sulfonic acid;hydrochloride
CID 87793086
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,3-dioxo-1H-indole-5-sulfonamide?
The IUPAC name of N-cyclohexyl-2,3-dioxo-1H-indole-5-sulfonamide (CID 5115250) is N-cyclohexyl-2,3-dioxo-1H-indole-5-sulfonamide.
What is the SMILES notation for N-cyclohexyl-2,3-dioxo-1H-indole-5-sulfonamide?
The canonical SMILES for N-cyclohexyl-2,3-dioxo-1H-indole-5-sulfonamide is O=C1Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2C1=O.
What is the InChIKey of N-cyclohexyl-2,3-dioxo-1H-indole-5-sulfonamide?
The InChIKey is VTPAKCGQCUMCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c17-13-11-8-10(6-7-12(11)15-14(13)18)21(19,20)16-9-4-2-1-3-5-9/h6-9,16H,1-5H2,(H,15,17,18).
What are the key properties of N-cyclohexyl-2,3-dioxo-1H-indole-5-sulfonamide?
N-cyclohexyl-2,3-dioxo-1H-indole-5-sulfonamide has a molecular weight of 308.36 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,3-dioxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 5115250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).