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

C17H18N2O2S — CID 20757276

IUPACN-[2-(1H-indol-3-yl)ethyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H18N2O2S/c20-22(21,13-14-6-2-1-3-7-14)19-11-10-15-12-18-17-9-5-4-8-16(15)17/h1-9,12,18-19H,10-11,13H2
InChIKeyVEWZEHHSOOSNFI-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.83
Rot. Bonds6

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

N-[2-(1H-indol-3-yl)ethyl]-1-phenylmethanesulfonamide (PubChem CID 20757276) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-1-phenylmethanesulfonamide
PubChem CID20757276
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H18N2O2S/c20-22(21,13-14-6-2-1-3-7-14)19-11-10-15-12-18-17-9-5-4-8-16(15)17/h1-9,12,18-19H,10-11,13H2
InChIKeyVEWZEHHSOOSNFI-UHFFFAOYSA-N
XLogP2.83
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Indole
CID 798
Skatole
CID 6736
Tryptamine
CID 1150
Sumatriptan
CID 5358
N,N-Dimethyltryptamine
CID 6089
Eletriptan
CID 77993
Almotriptan
CID 123606
3,3'-Diindolylmethane
CID 3071
Sumatriptan Succinate
CID 59772
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Naratriptan
CID 4440

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1-phenylmethanesulfonamide (CID 20757276) is N-[2-(1H-indol-3-yl)ethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-1-phenylmethanesulfonamide?
The InChIKey is VEWZEHHSOOSNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c20-22(21,13-14-6-2-1-3-7-14)19-11-10-15-12-18-17-9-5-4-8-16(15)17/h1-9,12,18-19H,10-11,13H2.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-1-phenylmethanesulfonamide?
N-[2-(1H-indol-3-yl)ethyl]-1-phenylmethanesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 2.83, 6 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]-1-phenylmethanesulfonamide is sourced from PubChem (CID 20757276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).