1,3,3-trimethyl-2-oxo-N-(1-phenylethyl)indole-5-sulfonamide

C19H22N2O3S — CID 22518792

IUPAC1,3,3-trimethyl-2-oxo-N-(1-phenylethyl)indole-5-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)c1ccccc1
InChIInChI=1S/C19H22N2O3S/c1-13(14-8-6-5-7-9-14)20-25(23,24)15-10-11-17-16(12-15)19(2,3)18(22)21(17)4/h5-13,20H,1-4H3
InChIKeyVLTZYXZFTVVPPP-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.98
Rot. Bonds4

About 1,3,3-trimethyl-2-oxo-N-(1-phenylethyl)indole-5-sulfonamide

1,3,3-trimethyl-2-oxo-N-(1-phenylethyl)indole-5-sulfonamide (PubChem CID 22518792) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-oxo-N-(1-phenylethyl)indole-5-sulfonamide.

Molecular Properties

Compound Name1,3,3-trimethyl-2-oxo-N-(1-phenylethyl)indole-5-sulfonamide
PubChem CID22518792
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name1,3,3-trimethyl-2-oxo-N-(1-phenylethyl)indole-5-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)c1ccccc1
InChIInChI=1S/C19H22N2O3S/c1-13(14-8-6-5-7-9-14)20-25(23,24)15-10-11-17-16(12-15)19(2,3)18(22)21(17)4/h5-13,20H,1-4H3
InChIKeyVLTZYXZFTVVPPP-UHFFFAOYSA-N
XLogP2.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-oxo-N-(1-phenylethyl)indole-5-sulfonamide?
The IUPAC name of 1,3,3-trimethyl-2-oxo-N-(1-phenylethyl)indole-5-sulfonamide (CID 22518792) is 1,3,3-trimethyl-2-oxo-N-(1-phenylethyl)indole-5-sulfonamide.
What is the SMILES notation for 1,3,3-trimethyl-2-oxo-N-(1-phenylethyl)indole-5-sulfonamide?
The canonical SMILES for 1,3,3-trimethyl-2-oxo-N-(1-phenylethyl)indole-5-sulfonamide is CC(NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)c1ccccc1.
What is the InChIKey of 1,3,3-trimethyl-2-oxo-N-(1-phenylethyl)indole-5-sulfonamide?
The InChIKey is VLTZYXZFTVVPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-13(14-8-6-5-7-9-14)20-25(23,24)15-10-11-17-16(12-15)19(2,3)18(22)21(17)4/h5-13,20H,1-4H3.
What are the key properties of 1,3,3-trimethyl-2-oxo-N-(1-phenylethyl)indole-5-sulfonamide?
1,3,3-trimethyl-2-oxo-N-(1-phenylethyl)indole-5-sulfonamide has a molecular weight of 358.46 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-oxo-N-(1-phenylethyl)indole-5-sulfonamide is sourced from PubChem (CID 22518792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).