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

C22H24N4O2S — CID 170162701

IUPACN-[2-(azetidin-1-yl)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide
SMILESCn1cc(C(CNS(=O)(=O)c2ccc3cc[nH]c3c2)N2CCC2)c2ccccc21
InChIInChI=1S/C22H24N4O2S/c1-25-15-19(18-5-2-3-6-21(18)25)22(26-11-4-12-26)14-24-29(27,28)17-8-7-16-9-10-23-20(16)13-17/h2-3,5-10,13,15,22-24H,4,11-12,14H2,1H3
InChIKeyJQYSQBGAOAOFTN-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.38
Rot. Bonds6

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

N-[2-(azetidin-1-yl)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide (PubChem CID 170162701) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-[2-(azetidin-1-yl)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(azetidin-1-yl)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide
PubChem CID170162701
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-[2-(azetidin-1-yl)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide
SMILESCn1cc(C(CNS(=O)(=O)c2ccc3cc[nH]c3c2)N2CCC2)c2ccccc21
InChIInChI=1S/C22H24N4O2S/c1-25-15-19(18-5-2-3-6-21(18)25)22(26-11-4-12-26)14-24-29(27,28)17-8-7-16-9-10-23-20(16)13-17/h2-3,5-10,13,15,22-24H,4,11-12,14H2,1H3
InChIKeyJQYSQBGAOAOFTN-UHFFFAOYSA-N
XLogP3.38
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide
CID 167001565
N-[(2R)-2-[(3R)-3-methoxypyrrolidin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide
CID 162743399
N-[2-(3-methoxypyrrolidin-1-yl)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide
CID 170161725
N-[2-(methylamino)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide
CID 162743480
N-[2-(1-methylindol-3-yl)-2-[methyl(propyl)amino]ethyl]-1H-indole-6-sulfonamide
CID 170274125
benzene;N-(1H-indol-6-ylsulfanyl)-2-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethanamine
CID 162743410
N-(cyanomethyl)-N-[2-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethyl]-1H-indole-6-sulfonamide
CID 162743412
N-[2-anilino-2-(1-methylindol-3-yl)ethyl]-2-[4-[[[2-(1H-indol-6-ylsulfonylamino)-1-(1-methylindol-3-yl)ethyl]amino]methyl]phenyl]-1H-indole-6-sulfonamide
CID 162743393
N-(1H-indol-6-ylsulfanyl)-2-(3-methylazetidin-1-yl)-2-(1-methylindol-3-yl)ethanamine
CID 162743476
3,4-dimethyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 8701691
(3S)-1-[2-(1H-indol-6-ylsulfanylamino)-1-(1-methylindol-3-yl)ethyl]pyrrolidin-3-ol
CID 162743457
2-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethanol
CID 116860335

Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-1-yl)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide?
The IUPAC name of N-[2-(azetidin-1-yl)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide (CID 170162701) is N-[2-(azetidin-1-yl)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide.
What is the SMILES notation for N-[2-(azetidin-1-yl)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide?
The canonical SMILES for N-[2-(azetidin-1-yl)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide is Cn1cc(C(CNS(=O)(=O)c2ccc3cc[nH]c3c2)N2CCC2)c2ccccc21.
What is the InChIKey of N-[2-(azetidin-1-yl)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide?
The InChIKey is JQYSQBGAOAOFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-25-15-19(18-5-2-3-6-21(18)25)22(26-11-4-12-26)14-24-29(27,28)17-8-7-16-9-10-23-20(16)13-17/h2-3,5-10,13,15,22-24H,4,11-12,14H2,1H3.
What are the key properties of N-[2-(azetidin-1-yl)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide?
N-[2-(azetidin-1-yl)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide has a molecular weight of 408.53 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-1-yl)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide is sourced from PubChem (CID 170162701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).