N-[2-(dimethylamino)ethyl]-3-(3-hydroxy-3-methylindol-2-yl)-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide

C22H26N4O4S — CID 91898890

IUPACN-[2-(dimethylamino)ethyl]-3-(3-hydroxy-3-methylindol-2-yl)-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCN(C)CCN(C)S(=O)(=O)c1ccc2c(c1)C(C1=Nc3ccccc3C1(C)O)C(=O)N2
InChIInChI=1S/C22H26N4O4S/c1-22(28)16-7-5-6-8-18(16)23-20(22)19-15-13-14(9-10-17(15)24-21(19)27)31(29,30)26(4)12-11-25(2)3/h5-10,13,19,28H,11-12H2,1-4H3,(H,24,27)
InChIKeyBBKQDKWGGKCIQA-UHFFFAOYSA-N
MW442.54 g/mol
LogP1.90
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-3-(3-hydroxy-3-methylindol-2-yl)-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide

N-[2-(dimethylamino)ethyl]-3-(3-hydroxy-3-methylindol-2-yl)-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 91898890) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(3-hydroxy-3-methylindol-2-yl)-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(3-hydroxy-3-methylindol-2-yl)-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID91898890
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(3-hydroxy-3-methylindol-2-yl)-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCN(C)CCN(C)S(=O)(=O)c1ccc2c(c1)C(C1=Nc3ccccc3C1(C)O)C(=O)N2
InChIInChI=1S/C22H26N4O4S/c1-22(28)16-7-5-6-8-18(16)23-20(22)19-15-13-14(9-10-17(15)24-21(19)27)31(29,30)26(4)12-11-25(2)3/h5-10,13,19,28H,11-12H2,1-4H3,(H,24,27)
InChIKeyBBKQDKWGGKCIQA-UHFFFAOYSA-N
XLogP1.90
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(3-hydroxy-3-methylindol-2-yl)-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(3-hydroxy-3-methylindol-2-yl)-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 91898890) is N-[2-(dimethylamino)ethyl]-3-(3-hydroxy-3-methylindol-2-yl)-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(3-hydroxy-3-methylindol-2-yl)-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(3-hydroxy-3-methylindol-2-yl)-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide is CN(C)CCN(C)S(=O)(=O)c1ccc2c(c1)C(C1=Nc3ccccc3C1(C)O)C(=O)N2.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(3-hydroxy-3-methylindol-2-yl)-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is BBKQDKWGGKCIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-22(28)16-7-5-6-8-18(16)23-20(22)19-15-13-14(9-10-17(15)24-21(19)27)31(29,30)26(4)12-11-25(2)3/h5-10,13,19,28H,11-12H2,1-4H3,(H,24,27).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(3-hydroxy-3-methylindol-2-yl)-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-[2-(dimethylamino)ethyl]-3-(3-hydroxy-3-methylindol-2-yl)-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 442.54 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(3-hydroxy-3-methylindol-2-yl)-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 91898890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).