N-[2-(1H-indol-3-yl)ethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C21H24N2O2S — CID 113084011

IUPACN-[2-(1H-indol-3-yl)ethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCN(CCc1c[nH]c2ccccc12)S(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H24N2O2S/c1-23(13-12-18-15-22-21-9-5-4-8-20(18)21)26(24,25)19-11-10-16-6-2-3-7-17(16)14-19/h4-5,8-11,14-15,22H,2-3,6-7,12-13H2,1H3
InChIKeyWWTHOQDVFKRQSH-UHFFFAOYSA-N
MW368.50 g/mol
LogP3.91
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[2-(1H-indol-3-yl)ethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 113084011) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID113084011
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCN(CCc1c[nH]c2ccccc12)S(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H24N2O2S/c1-23(13-12-18-15-22-21-9-5-4-8-20(18)21)26(24,25)19-11-10-16-6-2-3-7-17(16)14-19/h4-5,8-11,14-15,22H,2-3,6-7,12-13H2,1H3
InChIKeyWWTHOQDVFKRQSH-UHFFFAOYSA-N
XLogP3.91
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113084870
3-(1H-indol-3-yl)-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]propan-1-one
CID 17424227
N-(2-aminoethyl)-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 61348924
N-methyl-N-[2-(methylamino)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride
CID 120718201
N-(chloromethyl)-2-(1H-indol-3-yl)-N-methylethanamine
CID 115263517
[2-(1H-indol-3-yl)ethyl-methylamino]methanol
CID 115229481
1-[2-(1H-indol-3-yl)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26769527
N-[2-(1H-indol-3-yl)ethyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 17470412
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]butanamide
CID 27645506
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110716108
2-(1H-indol-3-yl)-N,N-dimethoxyethanamine
CID 87617375
N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine
CID 142231865

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 113084011) is N-[2-(1H-indol-3-yl)ethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is CN(CCc1c[nH]c2ccccc12)S(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is WWTHOQDVFKRQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-23(13-12-18-15-22-21-9-5-4-8-20(18)21)26(24,25)19-11-10-16-6-2-3-7-17(16)14-19/h4-5,8-11,14-15,22H,2-3,6-7,12-13H2,1H3.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[2-(1H-indol-3-yl)ethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 368.50 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 113084011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).