3-(benzenesulfonyl)-6-chloro-1-(piperidin-4-ylmethyl)indole

C20H21ClN2O2S — CID 10430391

IUPAC3-(benzenesulfonyl)-6-chloro-1-(piperidin-4-ylmethyl)indole
SMILESO=S(=O)(c1ccccc1)c1cn(CC2CCNCC2)c2cc(Cl)ccc12
InChIInChI=1S/C20H21ClN2O2S/c21-16-6-7-18-19(12-16)23(13-15-8-10-22-11-9-15)14-20(18)26(24,25)17-4-2-1-3-5-17/h1-7,12,14-15,22H,8-11,13H2
InChIKeyMZFSPBCWHHUZKS-UHFFFAOYSA-N
MW388.92 g/mol
LogP4.13
Rot. Bonds4

About 3-(benzenesulfonyl)-6-chloro-1-(piperidin-4-ylmethyl)indole

3-(benzenesulfonyl)-6-chloro-1-(piperidin-4-ylmethyl)indole (PubChem CID 10430391) has the molecular formula C20H21ClN2O2S and a molecular weight of 388.92 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-6-chloro-1-(piperidin-4-ylmethyl)indole.

Molecular Properties

Compound Name3-(benzenesulfonyl)-6-chloro-1-(piperidin-4-ylmethyl)indole
PubChem CID10430391
Molecular FormulaC20H21ClN2O2S
Molecular Weight388.92 g/mol
Exact Mass388.10
IUPAC Name3-(benzenesulfonyl)-6-chloro-1-(piperidin-4-ylmethyl)indole
SMILESO=S(=O)(c1ccccc1)c1cn(CC2CCNCC2)c2cc(Cl)ccc12
InChIInChI=1S/C20H21ClN2O2S/c21-16-6-7-18-19(12-16)23(13-15-8-10-22-11-9-15)14-20(18)26(24,25)17-4-2-1-3-5-17/h1-7,12,14-15,22H,8-11,13H2
InChIKeyMZFSPBCWHHUZKS-UHFFFAOYSA-N
XLogP4.13
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(benzenesulfonyl)-6-chloro-1-(piperidin-4-ylmethyl)indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-6-chloro-1-(piperidin-4-ylmethyl)indole?
The IUPAC name of 3-(benzenesulfonyl)-6-chloro-1-(piperidin-4-ylmethyl)indole (CID 10430391) is 3-(benzenesulfonyl)-6-chloro-1-(piperidin-4-ylmethyl)indole.
What is the SMILES notation for 3-(benzenesulfonyl)-6-chloro-1-(piperidin-4-ylmethyl)indole?
The canonical SMILES for 3-(benzenesulfonyl)-6-chloro-1-(piperidin-4-ylmethyl)indole is O=S(=O)(c1ccccc1)c1cn(CC2CCNCC2)c2cc(Cl)ccc12.
What is the InChIKey of 3-(benzenesulfonyl)-6-chloro-1-(piperidin-4-ylmethyl)indole?
The InChIKey is MZFSPBCWHHUZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2S/c21-16-6-7-18-19(12-16)23(13-15-8-10-22-11-9-15)14-20(18)26(24,25)17-4-2-1-3-5-17/h1-7,12,14-15,22H,8-11,13H2.
What are the key properties of 3-(benzenesulfonyl)-6-chloro-1-(piperidin-4-ylmethyl)indole?
3-(benzenesulfonyl)-6-chloro-1-(piperidin-4-ylmethyl)indole has a molecular weight of 388.92 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-6-chloro-1-(piperidin-4-ylmethyl)indole is sourced from PubChem (CID 10430391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).