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

C17H17ClN2O3S — CID 3161289

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C17H17ClN2O3S/c1-23-14-3-5-15(6-4-14)24(21,22)20-9-8-12-11-19-17-7-2-13(18)10-16(12)17/h2-7,10-11,19-20H,8-9H2,1H3
InChIKeyBZOSEINLNOBWOI-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.35
Rot. Bonds6

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

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methoxybenzenesulfonamide (PubChem CID 3161289) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methoxybenzenesulfonamide
PubChem CID3161289
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C17H17ClN2O3S/c1-23-14-3-5-15(6-4-14)24(21,22)20-9-8-12-11-19-17-7-2-13(18)10-16(12)17/h2-7,10-11,19-20H,8-9H2,1H3
InChIKeyBZOSEINLNOBWOI-UHFFFAOYSA-N
XLogP3.35
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methoxybenzenesulfonamide (CID 3161289) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methoxybenzenesulfonamide?
The InChIKey is BZOSEINLNOBWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-23-14-3-5-15(6-4-14)24(21,22)20-9-8-12-11-19-17-7-2-13(18)10-16(12)17/h2-7,10-11,19-20H,8-9H2,1H3.
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methoxybenzenesulfonamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methoxybenzenesulfonamide has a molecular weight of 364.85 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 3161289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).