N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide

C13H17ClN2O2S — CID 113086048

IUPACN-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1c(C)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C13H17ClN2O2S/c1-3-19(17,18)15-7-6-11-9(2)16-13-5-4-10(14)8-12(11)13/h4-5,8,15-16H,3,6-7H2,1-2H3
InChIKeyCQIUOVZAKRVBBG-UHFFFAOYSA-N
MW300.81 g/mol
LogP2.61
Rot. Bonds5

About N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide

N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide (PubChem CID 113086048) has the molecular formula C13H17ClN2O2S and a molecular weight of 300.81 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide
PubChem CID113086048
Molecular FormulaC13H17ClN2O2S
Molecular Weight300.81 g/mol
Exact Mass300.07
IUPAC NameN-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1c(C)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C13H17ClN2O2S/c1-3-19(17,18)15-7-6-11-9(2)16-13-5-4-10(14)8-12(11)13/h4-5,8,15-16H,3,6-7H2,1-2H3
InChIKeyCQIUOVZAKRVBBG-UHFFFAOYSA-N
XLogP2.61
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]methanesulfonamide
CID 113086047
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine
CID 82496893
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 113085985
N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-chlorobenzenesulfonamide
CID 122655775
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-methylsulfanylacetamide
CID 91833579
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113086017
4-bromo-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086005
N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide
CID 39892018
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]prop-2-ene-1-sulfonamide
CID 91956047
2-(6-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine
CID 82496918
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]oxane-4-carboxamide
CID 113086044
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(ethylamino)pyrimidine-5-carboxamide
CID 72842739

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide (CID 113086048) is N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCc1c(C)[nH]c2ccc(Cl)cc12.
What is the InChIKey of N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide?
The InChIKey is CQIUOVZAKRVBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2S/c1-3-19(17,18)15-7-6-11-9(2)16-13-5-4-10(14)8-12(11)13/h4-5,8,15-16H,3,6-7H2,1-2H3.
What are the key properties of N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide?
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide has a molecular weight of 300.81 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 113086048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).