N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methyl-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonamide

C21H22N4O4S — CID 135423101

IUPACN-[2-(dimethylamino)ethyl]-2-hydroxy-N-methyl-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonamide
SMILESCN(C)CCN(C)S(=O)(=O)c1ccc2[nH]c(O)c(C3=Nc4ccccc4C3=O)c2c1
InChIInChI=1S/C21H22N4O4S/c1-24(2)10-11-25(3)30(28,29)13-8-9-17-15(12-13)18(21(27)23-17)19-20(26)14-6-4-5-7-16(14)22-19/h4-9,12,23,27H,10-11H2,1-3H3
InChIKeyMQZFEHIWVBDCFX-UHFFFAOYSA-N
MW426.50 g/mol
LogP2.37
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methyl-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonamide

N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methyl-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonamide (PubChem CID 135423101) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methyl-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-hydroxy-N-methyl-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonamide
PubChem CID135423101
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC NameN-[2-(dimethylamino)ethyl]-2-hydroxy-N-methyl-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonamide
SMILESCN(C)CCN(C)S(=O)(=O)c1ccc2[nH]c(O)c(C3=Nc4ccccc4C3=O)c2c1
InChIInChI=1S/C21H22N4O4S/c1-24(2)10-11-25(3)30(28,29)13-8-9-17-15(12-13)18(21(27)23-17)19-20(26)14-6-4-5-7-16(14)22-19/h4-9,12,23,27H,10-11H2,1-3H3
InChIKeyMQZFEHIWVBDCFX-UHFFFAOYSA-N
XLogP2.37
TPSA106.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 52.37
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]-2-hydroxy-N-methyl-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methyl-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonamide (CID 135423101) is N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methyl-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methyl-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methyl-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonamide is CN(C)CCN(C)S(=O)(=O)c1ccc2[nH]c(O)c(C3=Nc4ccccc4C3=O)c2c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methyl-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonamide?
The InChIKey is MQZFEHIWVBDCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-24(2)10-11-25(3)30(28,29)13-8-9-17-15(12-13)18(21(27)23-17)19-20(26)14-6-4-5-7-16(14)22-19/h4-9,12,23,27H,10-11H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methyl-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonamide?
N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methyl-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonamide has a molecular weight of 426.50 g/mol, XLogP of 2.37, 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]-2-hydroxy-N-methyl-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonamide is sourced from PubChem (CID 135423101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).