N-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide

C19H22N2O2S — CID 35539650

IUPACN-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1C
InChIInChI=1S/C19H22N2O2S/c1-13-10-15(3)19(11-14(13)2)24(22,23)21-9-8-16-12-20-18-7-5-4-6-17(16)18/h4-7,10-12,20-21H,8-9H2,1-3H3
InChIKeyZRYCWIBIWXIASW-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.61
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide

N-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide (PubChem CID 35539650) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide
PubChem CID35539650
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1C
InChIInChI=1S/C19H22N2O2S/c1-13-10-15(3)19(11-14(13)2)24(22,23)21-9-8-16-12-20-18-7-5-4-6-17(16)18/h4-7,10-12,20-21H,8-9H2,1-3H3
InChIKeyZRYCWIBIWXIASW-UHFFFAOYSA-N
XLogP3.61
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide
CID 113083568
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 51164021
4-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2737664
4-ethoxy-N-(1H-indol-3-ylmethyl)-2,5-dimethylbenzenesulfonamide
CID 110357493
2,6-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 25035880
N-[2-(1H-indol-3-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 2823180
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 113083697
N-[2-(1H-indol-3-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 25039281
1,1,1-trifluoro-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide
CID 106386056
N'-[2-(1H-indol-3-yl)ethylsulfamoyl]ethane-1,2-diamine
CID 84760927
N-tert-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide
CID 109065045
N-[2-(1H-indol-3-yl)ethyl]cyclopropanesulfonamide
CID 113250435

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide (CID 35539650) is N-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1C.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide?
The InChIKey is ZRYCWIBIWXIASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-13-10-15(3)19(11-14(13)2)24(22,23)21-9-8-16-12-20-18-7-5-4-6-17(16)18/h4-7,10-12,20-21H,8-9H2,1-3H3.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide?
N-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide has a molecular weight of 342.46 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 35539650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).