1-[1-(benzenesulfonyl)indol-3-yl]-N,N-dimethylmethanamine

C17H18N2O2S — CID 11723168

IUPAC1-[1-(benzenesulfonyl)indol-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C17H18N2O2S/c1-18(2)12-14-13-19(17-11-7-6-10-16(14)17)22(20,21)15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3
InChIKeyMHFSWNYVTLJUEH-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.94
Rot. Bonds4

About 1-[1-(benzenesulfonyl)indol-3-yl]-N,N-dimethylmethanamine

1-[1-(benzenesulfonyl)indol-3-yl]-N,N-dimethylmethanamine (PubChem CID 11723168) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)indol-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)indol-3-yl]-N,N-dimethylmethanamine
PubChem CID11723168
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name1-[1-(benzenesulfonyl)indol-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C17H18N2O2S/c1-18(2)12-14-13-19(17-11-7-6-10-16(14)17)22(20,21)15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3
InChIKeyMHFSWNYVTLJUEH-UHFFFAOYSA-N
XLogP2.94
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)indol-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(benzenesulfonyl)indol-3-yl]-N,N-dimethylmethanamine (CID 11723168) is 1-[1-(benzenesulfonyl)indol-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(benzenesulfonyl)indol-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(benzenesulfonyl)indol-3-yl]-N,N-dimethylmethanamine is CN(C)Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12.
What is the InChIKey of 1-[1-(benzenesulfonyl)indol-3-yl]-N,N-dimethylmethanamine?
The InChIKey is MHFSWNYVTLJUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-18(2)12-14-13-19(17-11-7-6-10-16(14)17)22(20,21)15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3.
What are the key properties of 1-[1-(benzenesulfonyl)indol-3-yl]-N,N-dimethylmethanamine?
1-[1-(benzenesulfonyl)indol-3-yl]-N,N-dimethylmethanamine has a molecular weight of 314.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)indol-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 11723168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).