N-[2-(methylamino)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide

C20H22N4O2S — CID 162743480

IUPACN-[2-(methylamino)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide
SMILESCNC(CNS(=O)(=O)c1ccc2cc[nH]c2c1)c1cn(C)c2ccccc12
InChIInChI=1S/C20H22N4O2S/c1-21-19(17-13-24(2)20-6-4-3-5-16(17)20)12-23-27(25,26)15-8-7-14-9-10-22-18(14)11-15/h3-11,13,19,21-23H,12H2,1-2H3
InChIKeyTUIGYKBXKPRSHP-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.90
Rot. Bonds6

About N-[2-(methylamino)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide

N-[2-(methylamino)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide (PubChem CID 162743480) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[2-(methylamino)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(methylamino)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide
PubChem CID162743480
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-[2-(methylamino)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide
SMILESCNC(CNS(=O)(=O)c1ccc2cc[nH]c2c1)c1cn(C)c2ccccc12
InChIInChI=1S/C20H22N4O2S/c1-21-19(17-13-24(2)20-6-4-3-5-16(17)20)12-23-27(25,26)15-8-7-14-9-10-22-18(14)11-15/h3-11,13,19,21-23H,12H2,1-2H3
InChIKeyTUIGYKBXKPRSHP-UHFFFAOYSA-N
XLogP2.90
TPSA78.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide?
The IUPAC name of N-[2-(methylamino)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide (CID 162743480) is N-[2-(methylamino)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide.
What is the SMILES notation for N-[2-(methylamino)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide?
The canonical SMILES for N-[2-(methylamino)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide is CNC(CNS(=O)(=O)c1ccc2cc[nH]c2c1)c1cn(C)c2ccccc12.
What is the InChIKey of N-[2-(methylamino)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide?
The InChIKey is TUIGYKBXKPRSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-21-19(17-13-24(2)20-6-4-3-5-16(17)20)12-23-27(25,26)15-8-7-14-9-10-22-18(14)11-15/h3-11,13,19,21-23H,12H2,1-2H3.
What are the key properties of N-[2-(methylamino)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide?
N-[2-(methylamino)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide has a molecular weight of 382.49 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide is sourced from PubChem (CID 162743480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).