3,4-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide

C19H22N2O2S — CID 113083935

IUPAC3,4-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2cn(C)c3ccccc23)cc1C
InChIInChI=1S/C19H22N2O2S/c1-14-8-9-17(12-15(14)2)24(22,23)20-11-10-16-13-21(3)19-7-5-4-6-18(16)19/h4-9,12-13,20H,10-11H2,1-3H3
InChIKeyBJPLRCIINOHQSP-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.32
Rot. Bonds5

About 3,4-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide

3,4-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide (PubChem CID 113083935) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
PubChem CID113083935
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name3,4-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2cn(C)c3ccccc23)cc1C
InChIInChI=1S/C19H22N2O2S/c1-14-8-9-17(12-15(14)2)24(22,23)20-11-10-16-13-21(3)19-7-5-4-6-18(16)19/h4-9,12-13,20H,10-11H2,1-3H3
InChIKeyBJPLRCIINOHQSP-UHFFFAOYSA-N
XLogP3.32
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 113083934
1-methyl-N-[2-(1-methylindol-3-yl)ethyl]-2-oxo-3H-indole-5-sulfonamide
CID 113083966
N-[2-(1-methylindol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113083964
2,4-dimethoxy-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 113083949
3,5-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 110731554
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
3,4-dimethyl-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzenesulfonamide
CID 110396338
3-(1-methylindol-3-yl)propyl 4-methylbenzenesulfonate
CID 19979348
4-fluoro-3-methyl-N-(3-naphthalen-1-ylpropyl)benzenesulfonamide
CID 100696895
2-(1-methylindol-3-yl)ethanesulfonyl chloride
CID 82483252
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3,4-dimethylbenzenesulfonamide
CID 3367442
2-[2-(1-methylindol-3-yl)ethylamino]ethanethiol
CID 115224231

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide (CID 113083935) is 3,4-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCc2cn(C)c3ccccc23)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is BJPLRCIINOHQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-14-8-9-17(12-15(14)2)24(22,23)20-11-10-16-13-21(3)19-7-5-4-6-18(16)19/h4-9,12-13,20H,10-11H2,1-3H3.
What are the key properties of 3,4-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
3,4-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 342.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 113083935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).