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

C18H19ClN2O2S — CID 113083697

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2c[nH]c3ccc(Cl)cc23)c(C)c1
InChIInChI=1S/C18H19ClN2O2S/c1-12-3-6-18(13(2)9-12)24(22,23)21-8-7-14-11-20-17-5-4-15(19)10-16(14)17/h3-6,9-11,20-21H,7-8H2,1-2H3
InChIKeyRWJOXZJJMNTWRC-UHFFFAOYSA-N
MW362.88 g/mol
LogP3.96
Rot. Bonds5

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

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide (PubChem CID 113083697) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
PubChem CID113083697
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2c[nH]c3ccc(Cl)cc23)c(C)c1
InChIInChI=1S/C18H19ClN2O2S/c1-12-3-6-18(13(2)9-12)24(22,23)21-8-7-14-11-20-17-5-4-15(19)10-16(14)17/h3-6,9-11,20-21H,7-8H2,1-2H3
InChIKeyRWJOXZJJMNTWRC-UHFFFAOYSA-N
XLogP3.96
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,4-trifluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 3776949
N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2991494
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluorobenzenesulfonamide
CID 3161292
5-chloro-1,3-dimethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 5004905
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 51164021
5-chloro-2-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 113083673
N-[2-(5-chloro-1H-indol-3-yl)ethyl]butane-1-sulfonamide
CID 113083694
N-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide
CID 35539650
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 113086252
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 4974066
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide
CID 17271786
5-chloro-3-[2-(2-ethylphenyl)ethyl]-1H-indole
CID 90747819

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide (CID 113083697) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCc2c[nH]c3ccc(Cl)cc23)c(C)c1.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is RWJOXZJJMNTWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2S/c1-12-3-6-18(13(2)9-12)24(22,23)21-8-7-14-11-20-17-5-4-15(19)10-16(14)17/h3-6,9-11,20-21H,7-8H2,1-2H3.
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 362.88 g/mol, XLogP of 3.96, 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-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 113083697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).