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

C16H16N2O2S — CID 2475352

IUPACN-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C16H16N2O2S/c19-21(20,14-6-2-1-3-7-14)18-11-10-13-12-17-16-9-5-4-8-15(13)16/h1-9,12,17-18H,10-11H2
InChIKeyCTDQKZGWJQNLIZ-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.69
Rot. Bonds5

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

N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide (PubChem CID 2475352) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
PubChem CID2475352
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C16H16N2O2S/c19-21(20,14-6-2-1-3-7-14)18-11-10-13-12-17-16-9-5-4-8-15(13)16/h1-9,12,17-18H,10-11H2
InChIKeyCTDQKZGWJQNLIZ-UHFFFAOYSA-N
XLogP2.69
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide (CID 2475352) is N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is CTDQKZGWJQNLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c19-21(20,14-6-2-1-3-7-14)18-11-10-13-12-17-16-9-5-4-8-15(13)16/h1-9,12,17-18H,10-11H2.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 2475352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).