N-[2-(6-chloro-1H-indol-3-yl)ethyl]-4-ethylbenzenesulfonamide

C18H19ClN2O2S — CID 113083875

IUPACN-[2-(6-chloro-1H-indol-3-yl)ethyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2c[nH]c3cc(Cl)ccc23)cc1
InChIInChI=1S/C18H19ClN2O2S/c1-2-13-3-6-16(7-4-13)24(22,23)21-10-9-14-12-20-18-11-15(19)5-8-17(14)18/h3-8,11-12,20-21H,2,9-10H2,1H3
InChIKeyYJUYNGRYZJUEIA-UHFFFAOYSA-N
MW362.88 g/mol
LogP3.90
Rot. Bonds6

About N-[2-(6-chloro-1H-indol-3-yl)ethyl]-4-ethylbenzenesulfonamide

N-[2-(6-chloro-1H-indol-3-yl)ethyl]-4-ethylbenzenesulfonamide (PubChem CID 113083875) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is N-[2-(6-chloro-1H-indol-3-yl)ethyl]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(6-chloro-1H-indol-3-yl)ethyl]-4-ethylbenzenesulfonamide
PubChem CID113083875
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC NameN-[2-(6-chloro-1H-indol-3-yl)ethyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2c[nH]c3cc(Cl)ccc23)cc1
InChIInChI=1S/C18H19ClN2O2S/c1-2-13-3-6-16(7-4-13)24(22,23)21-10-9-14-12-20-18-11-15(19)5-8-17(14)18/h3-8,11-12,20-21H,2,9-10H2,1H3
InChIKeyYJUYNGRYZJUEIA-UHFFFAOYSA-N
XLogP3.90
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(6-chloro-1H-indol-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide
CID 113083891
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluorobenzenesulfonamide
CID 3161292
N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2991494
4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
N-[2-(6-chloro-1H-indol-3-yl)ethyl]thiophene-2-sulfonamide
CID 113083889
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113083900
4-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2737664
4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide
CID 113083568
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 4997493
N-[2-(5-chloro-1H-indol-3-yl)ethyl]butane-1-sulfonamide
CID 113083694
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-iodobenzenesulfonamide
CID 5008232
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 113083697

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-1H-indol-3-yl)ethyl]-4-ethylbenzenesulfonamide?
The IUPAC name of N-[2-(6-chloro-1H-indol-3-yl)ethyl]-4-ethylbenzenesulfonamide (CID 113083875) is N-[2-(6-chloro-1H-indol-3-yl)ethyl]-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(6-chloro-1H-indol-3-yl)ethyl]-4-ethylbenzenesulfonamide?
The canonical SMILES for N-[2-(6-chloro-1H-indol-3-yl)ethyl]-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)NCCc2c[nH]c3cc(Cl)ccc23)cc1.
What is the InChIKey of N-[2-(6-chloro-1H-indol-3-yl)ethyl]-4-ethylbenzenesulfonamide?
The InChIKey is YJUYNGRYZJUEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2S/c1-2-13-3-6-16(7-4-13)24(22,23)21-10-9-14-12-20-18-11-15(19)5-8-17(14)18/h3-8,11-12,20-21H,2,9-10H2,1H3.
What are the key properties of N-[2-(6-chloro-1H-indol-3-yl)ethyl]-4-ethylbenzenesulfonamide?
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-4-ethylbenzenesulfonamide has a molecular weight of 362.88 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-1H-indol-3-yl)ethyl]-4-ethylbenzenesulfonamide is sourced from PubChem (CID 113083875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).