N-ethyl-1,3,3-trimethyl-2-oxo-N-phenylindole-5-sulfonamide

C19H22N2O3S — CID 22518767

IUPACN-ethyl-1,3,3-trimethyl-2-oxo-N-phenylindole-5-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C
InChIInChI=1S/C19H22N2O3S/c1-5-21(14-9-7-6-8-10-14)25(23,24)15-11-12-17-16(13-15)19(2,3)18(22)20(17)4/h6-13H,5H2,1-4H3
InChIKeyXPJIHOIUVCCNIX-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.16
Rot. Bonds4

About N-ethyl-1,3,3-trimethyl-2-oxo-N-phenylindole-5-sulfonamide

N-ethyl-1,3,3-trimethyl-2-oxo-N-phenylindole-5-sulfonamide (PubChem CID 22518767) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-ethyl-1,3,3-trimethyl-2-oxo-N-phenylindole-5-sulfonamide.

Molecular Properties

Compound NameN-ethyl-1,3,3-trimethyl-2-oxo-N-phenylindole-5-sulfonamide
PubChem CID22518767
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-ethyl-1,3,3-trimethyl-2-oxo-N-phenylindole-5-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C
InChIInChI=1S/C19H22N2O3S/c1-5-21(14-9-7-6-8-10-14)25(23,24)15-11-12-17-16(13-15)19(2,3)18(22)20(17)4/h6-13H,5H2,1-4H3
InChIKeyXPJIHOIUVCCNIX-UHFFFAOYSA-N
XLogP3.16
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,3,3-trimethyl-2-oxo-N-phenylindole-5-sulfonamide?
The IUPAC name of N-ethyl-1,3,3-trimethyl-2-oxo-N-phenylindole-5-sulfonamide (CID 22518767) is N-ethyl-1,3,3-trimethyl-2-oxo-N-phenylindole-5-sulfonamide.
What is the SMILES notation for N-ethyl-1,3,3-trimethyl-2-oxo-N-phenylindole-5-sulfonamide?
The canonical SMILES for N-ethyl-1,3,3-trimethyl-2-oxo-N-phenylindole-5-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C.
What is the InChIKey of N-ethyl-1,3,3-trimethyl-2-oxo-N-phenylindole-5-sulfonamide?
The InChIKey is XPJIHOIUVCCNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-5-21(14-9-7-6-8-10-14)25(23,24)15-11-12-17-16(13-15)19(2,3)18(22)20(17)4/h6-13H,5H2,1-4H3.
What are the key properties of N-ethyl-1,3,3-trimethyl-2-oxo-N-phenylindole-5-sulfonamide?
N-ethyl-1,3,3-trimethyl-2-oxo-N-phenylindole-5-sulfonamide has a molecular weight of 358.46 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,3,3-trimethyl-2-oxo-N-phenylindole-5-sulfonamide is sourced from PubChem (CID 22518767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).