3-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1H-indole

C23H23N3O2S — CID 1150418

IUPAC3-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1H-indole
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C23H23N3O2S/c27-29(28,21-10-9-18-5-1-2-6-19(18)15-21)26-13-11-25(12-14-26)17-20-16-24-23-8-4-3-7-22(20)23/h1-10,15-16,24H,11-14,17H2
InChIKeyRGCDENSEERFTSL-UHFFFAOYSA-N
MW405.52 g/mol
LogP3.83
Rot. Bonds4

About 3-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1H-indole

3-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1H-indole (PubChem CID 1150418) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 3-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1H-indole
PubChem CID1150418
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name3-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1H-indole
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C23H23N3O2S/c27-29(28,21-10-9-18-5-1-2-6-19(18)15-21)26-13-11-25(12-14-26)17-20-16-24-23-8-4-3-7-22(20)23/h1-10,15-16,24H,11-14,17H2
InChIKeyRGCDENSEERFTSL-UHFFFAOYSA-N
XLogP3.83
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole
CID 878346
1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1342528
3-[[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-indole
CID 110397518
6-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3-benzodioxol-5-ol
CID 42994897
1-[(2,6-dichlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1282318
1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid
CID 2902367
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
oxalic acid;3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1H-indole
CID 2900301
4-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one
CID 2461285
1-[(3-chloro-4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 22208128
7-methoxy-4-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]chromen-2-one
CID 4263411
1-methyl-4-naphthalen-2-ylsulfonylpiperazine
CID 872090

Frequently Asked Questions

What is the IUPAC name of 3-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1H-indole?
The IUPAC name of 3-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1H-indole (CID 1150418) is 3-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1H-indole.
What is the SMILES notation for 3-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1H-indole?
The canonical SMILES for 3-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1H-indole is O=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 3-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1H-indole?
The InChIKey is RGCDENSEERFTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c27-29(28,21-10-9-18-5-1-2-6-19(18)15-21)26-13-11-25(12-14-26)17-20-16-24-23-8-4-3-7-22(20)23/h1-10,15-16,24H,11-14,17H2.
What are the key properties of 3-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1H-indole?
3-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1H-indole has a molecular weight of 405.52 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1H-indole is sourced from PubChem (CID 1150418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).