N-[[1-(benzenesulfonyl)indol-3-yl]methyl]-N-methyl-1-phenylmethanamine

C23H22N2O2S — CID 71694981

IUPACN-[[1-(benzenesulfonyl)indol-3-yl]methyl]-N-methyl-1-phenylmethanamine
SMILESCN(Cc1ccccc1)Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C23H22N2O2S/c1-24(16-19-10-4-2-5-11-19)17-20-18-25(23-15-9-8-14-22(20)23)28(26,27)21-12-6-3-7-13-21/h2-15,18H,16-17H2,1H3
InChIKeyUJYASLSWCYUOPA-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.51
Rot. Bonds6

About N-[[1-(benzenesulfonyl)indol-3-yl]methyl]-N-methyl-1-phenylmethanamine

N-[[1-(benzenesulfonyl)indol-3-yl]methyl]-N-methyl-1-phenylmethanamine (PubChem CID 71694981) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[[1-(benzenesulfonyl)indol-3-yl]methyl]-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[1-(benzenesulfonyl)indol-3-yl]methyl]-N-methyl-1-phenylmethanamine
PubChem CID71694981
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC NameN-[[1-(benzenesulfonyl)indol-3-yl]methyl]-N-methyl-1-phenylmethanamine
SMILESCN(Cc1ccccc1)Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C23H22N2O2S/c1-24(16-19-10-4-2-5-11-19)17-20-18-25(23-15-9-8-14-22(20)23)28(26,27)21-12-6-3-7-13-21/h2-15,18H,16-17H2,1H3
InChIKeyUJYASLSWCYUOPA-UHFFFAOYSA-N
XLogP4.51
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(benzenesulfonyl)indol-3-yl]methyl]-N-methyl-1-phenylmethanamine?
The IUPAC name of N-[[1-(benzenesulfonyl)indol-3-yl]methyl]-N-methyl-1-phenylmethanamine (CID 71694981) is N-[[1-(benzenesulfonyl)indol-3-yl]methyl]-N-methyl-1-phenylmethanamine.
What is the SMILES notation for N-[[1-(benzenesulfonyl)indol-3-yl]methyl]-N-methyl-1-phenylmethanamine?
The canonical SMILES for N-[[1-(benzenesulfonyl)indol-3-yl]methyl]-N-methyl-1-phenylmethanamine is CN(Cc1ccccc1)Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12.
What is the InChIKey of N-[[1-(benzenesulfonyl)indol-3-yl]methyl]-N-methyl-1-phenylmethanamine?
The InChIKey is UJYASLSWCYUOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-24(16-19-10-4-2-5-11-19)17-20-18-25(23-15-9-8-14-22(20)23)28(26,27)21-12-6-3-7-13-21/h2-15,18H,16-17H2,1H3.
What are the key properties of N-[[1-(benzenesulfonyl)indol-3-yl]methyl]-N-methyl-1-phenylmethanamine?
N-[[1-(benzenesulfonyl)indol-3-yl]methyl]-N-methyl-1-phenylmethanamine has a molecular weight of 390.51 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(benzenesulfonyl)indol-3-yl]methyl]-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 71694981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).