N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide

C17H18N2O3S — CID 2990363

IUPACN-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc2[nH]cc(CCNS(=O)(=O)c3ccccc3)c2c1
InChIInChI=1S/C17H18N2O3S/c1-22-14-7-8-17-16(11-14)13(12-18-17)9-10-19-23(20,21)15-5-3-2-4-6-15/h2-8,11-12,18-19H,9-10H2,1H3
InChIKeyYKYHIPLHJFINIQ-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.70
Rot. Bonds6

About N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide (PubChem CID 2990363) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide
PubChem CID2990363
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc2[nH]cc(CCNS(=O)(=O)c3ccccc3)c2c1
InChIInChI=1S/C17H18N2O3S/c1-22-14-7-8-17-16(11-14)13(12-18-17)9-10-19-23(20,21)15-5-3-2-4-6-15/h2-8,11-12,18-19H,9-10H2,1H3
InChIKeyYKYHIPLHJFINIQ-UHFFFAOYSA-N
XLogP2.70
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide (CID 2990363) is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide is COc1ccc2[nH]cc(CCNS(=O)(=O)c3ccccc3)c2c1.
What is the InChIKey of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is YKYHIPLHJFINIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-22-14-7-8-17-16(11-14)13(12-18-17)9-10-19-23(20,21)15-5-3-2-4-6-15/h2-8,11-12,18-19H,9-10H2,1H3.
What are the key properties of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide?
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 2990363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).