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

C17H17BrN2O2S — CID 113083934

IUPAC4-bromo-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
SMILESCn1cc(CCNS(=O)(=O)c2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C17H17BrN2O2S/c1-20-12-13(16-4-2-3-5-17(16)20)10-11-19-23(21,22)15-8-6-14(18)7-9-15/h2-9,12,19H,10-11H2,1H3
InChIKeyHSVZVJUHFLTDPW-UHFFFAOYSA-N
MW393.31 g/mol
LogP3.46
Rot. Bonds5

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

4-bromo-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide (PubChem CID 113083934) has the molecular formula C17H17BrN2O2S and a molecular weight of 393.31 g/mol. Its IUPAC name is 4-bromo-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
PubChem CID113083934
Molecular FormulaC17H17BrN2O2S
Molecular Weight393.31 g/mol
Exact Mass392.02
IUPAC Name4-bromo-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
SMILESCn1cc(CCNS(=O)(=O)c2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C17H17BrN2O2S/c1-20-12-13(16-4-2-3-5-17(16)20)10-11-19-23(21,22)15-8-6-14(18)7-9-15/h2-9,12,19H,10-11H2,1H3
InChIKeyHSVZVJUHFLTDPW-UHFFFAOYSA-N
XLogP3.46
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 113083935
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
4-bromo-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide
CID 110605294
4-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 9300920
3,5-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 110731554
2,4-dimethoxy-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 113083949
4-bromo-N-[(E)-(1-methylindol-3-yl)methylideneamino]benzenesulfonamide
CID 110516037
3-(2-bromoethyl)-1-methylindole
CID 13153306
2-(1-methylindol-3-yl)ethanesulfonyl chloride
CID 82483252
2-[2-(1-methylindol-3-yl)ethylamino]ethanethiol
CID 115224231
2-[3-[2-[(4-phenoxyphenyl)sulfonylamino]ethyl]indol-1-yl]propanoic acid
CID 70352178

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide (CID 113083934) is 4-bromo-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide is Cn1cc(CCNS(=O)(=O)c2ccc(Br)cc2)c2ccccc21.
What is the InChIKey of 4-bromo-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is HSVZVJUHFLTDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2S/c1-20-12-13(16-4-2-3-5-17(16)20)10-11-19-23(21,22)15-8-6-14(18)7-9-15/h2-9,12,19H,10-11H2,1H3.
What are the key properties of 4-bromo-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
4-bromo-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 393.31 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 113083934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).