3,3,7-trimethyl-2-oxo-N-prop-2-enyl-1H-indole-5-sulfonamide

C14H18N2O3S — CID 56731610

IUPAC3,3,7-trimethyl-2-oxo-N-prop-2-enyl-1H-indole-5-sulfonamide
SMILESC=CCNS(=O)(=O)c1cc(C)c2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C14H18N2O3S/c1-5-6-15-20(18,19)10-7-9(2)12-11(8-10)14(3,4)13(17)16-12/h5,7-8,15H,1,6H2,2-4H3,(H,16,17)
InChIKeyDHMBKLALAYLYCJ-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.69
Rot. Bonds4

About 3,3,7-trimethyl-2-oxo-N-prop-2-enyl-1H-indole-5-sulfonamide

3,3,7-trimethyl-2-oxo-N-prop-2-enyl-1H-indole-5-sulfonamide (PubChem CID 56731610) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3,3,7-trimethyl-2-oxo-N-prop-2-enyl-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name3,3,7-trimethyl-2-oxo-N-prop-2-enyl-1H-indole-5-sulfonamide
PubChem CID56731610
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name3,3,7-trimethyl-2-oxo-N-prop-2-enyl-1H-indole-5-sulfonamide
SMILESC=CCNS(=O)(=O)c1cc(C)c2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C14H18N2O3S/c1-5-6-15-20(18,19)10-7-9(2)12-11(8-10)14(3,4)13(17)16-12/h5,7-8,15H,1,6H2,2-4H3,(H,16,17)
InChIKeyDHMBKLALAYLYCJ-UHFFFAOYSA-N
XLogP1.69
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide
CID 56731590
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide
CID 171138546
3,3,7-trimethyl-2-oxo-N-(3-thiophen-2-ylpropyl)-1H-indole-5-sulfonamide
CID 171133386
3,3,7-trimethyl-2-oxo-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-1H-indole-5-sulfonamide
CID 171133385
7-ethyl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonyl chloride
CID 102534153
3-amino-2,4,6-trimethyl-N-prop-2-enylbenzenesulfonamide
CID 113469282
4-butoxy-3-methyl-N-prop-2-enylbenzenesulfonamide
CID 27243561
methyl 3-oxo-3-[4-(prop-2-enylsulfamoyl)anilino]propanoate
CID 28637974
5-methoxy-2,4-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 27261539
2,4-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 19681800
4-bromo-2,5-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 25252496
6-(cyclopropylamino)-5-methyl-N-prop-2-enylpyridine-3-sulfonamide
CID 98018065

Frequently Asked Questions

What is the IUPAC name of 3,3,7-trimethyl-2-oxo-N-prop-2-enyl-1H-indole-5-sulfonamide?
The IUPAC name of 3,3,7-trimethyl-2-oxo-N-prop-2-enyl-1H-indole-5-sulfonamide (CID 56731610) is 3,3,7-trimethyl-2-oxo-N-prop-2-enyl-1H-indole-5-sulfonamide.
What is the SMILES notation for 3,3,7-trimethyl-2-oxo-N-prop-2-enyl-1H-indole-5-sulfonamide?
The canonical SMILES for 3,3,7-trimethyl-2-oxo-N-prop-2-enyl-1H-indole-5-sulfonamide is C=CCNS(=O)(=O)c1cc(C)c2c(c1)C(C)(C)C(=O)N2.
What is the InChIKey of 3,3,7-trimethyl-2-oxo-N-prop-2-enyl-1H-indole-5-sulfonamide?
The InChIKey is DHMBKLALAYLYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-5-6-15-20(18,19)10-7-9(2)12-11(8-10)14(3,4)13(17)16-12/h5,7-8,15H,1,6H2,2-4H3,(H,16,17).
What are the key properties of 3,3,7-trimethyl-2-oxo-N-prop-2-enyl-1H-indole-5-sulfonamide?
3,3,7-trimethyl-2-oxo-N-prop-2-enyl-1H-indole-5-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,7-trimethyl-2-oxo-N-prop-2-enyl-1H-indole-5-sulfonamide is sourced from PubChem (CID 56731610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).