1-naphthalen-2-ylsulfonyl-4-piperazin-1-ylindole;dihydrochloride

C22H23Cl2N3O2S — CID 10183265

IUPAC1-naphthalen-2-ylsulfonyl-4-piperazin-1-ylindole;dihydrochloride
SMILESCl.Cl.O=S(=O)(c1ccc2ccccc2c1)n1ccc2c(N3CCNCC3)cccc21
InChIInChI=1S/C22H21N3O2S.2ClH/c26-28(27,19-9-8-17-4-1-2-5-18(17)16-19)25-13-10-20-21(6-3-7-22(20)25)24-14-11-23-12-15-24;;/h1-10,13,16,23H,11-12,14-15H2;2*1H
InChIKeyKGJULEKJQXTZKE-UHFFFAOYSA-N
MW464.42 g/mol
LogP4.28
Rot. Bonds3

About 1-naphthalen-2-ylsulfonyl-4-piperazin-1-ylindole;dihydrochloride

1-naphthalen-2-ylsulfonyl-4-piperazin-1-ylindole;dihydrochloride (PubChem CID 10183265) has the molecular formula C22H23Cl2N3O2S and a molecular weight of 464.42 g/mol. Its IUPAC name is 1-naphthalen-2-ylsulfonyl-4-piperazin-1-ylindole;dihydrochloride.

Molecular Properties

Compound Name1-naphthalen-2-ylsulfonyl-4-piperazin-1-ylindole;dihydrochloride
PubChem CID10183265
Molecular FormulaC22H23Cl2N3O2S
Molecular Weight464.42 g/mol
Exact Mass463.09
IUPAC Name1-naphthalen-2-ylsulfonyl-4-piperazin-1-ylindole;dihydrochloride
SMILESCl.Cl.O=S(=O)(c1ccc2ccccc2c1)n1ccc2c(N3CCNCC3)cccc21
InChIInChI=1S/C22H21N3O2S.2ClH/c26-28(27,19-9-8-17-4-1-2-5-18(17)16-19)25-13-10-20-21(6-3-7-22(20)25)24-14-11-23-12-15-24;;/h1-10,13,16,23H,11-12,14-15H2;2*1H
InChIKeyKGJULEKJQXTZKE-UHFFFAOYSA-N
XLogP4.28
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-naphthalen-2-ylsulfonyl-4-piperazin-1-ylindole;dihydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

2-[1-(benzenesulfonyl)indol-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-naphthalen-2-ylsulfonyl-4-piperazin-1-ylindole
CID 22015312
1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylindole
CID 10271920
1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylindole
CID 10113365
1-(4-nitrophenyl)sulfonyl-4-piperazin-1-ylindole;hydrochloride
CID 10137084
1-(4-butoxyphenyl)sulfonyl-4-piperazin-1-ylindole
CID 10161068
4-piperazin-1-yl-1-pyridin-3-ylsulfonylindole
CID 22015332
2-[1-(benzenesulfonyl)indol-4-yl]-1-(2-naphthalen-2-ylsulfonyl-4-piperazin-1-ylindol-1-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 68997249
formic acid;6-(4-piperazin-1-ylindol-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 157455881
1-(2,4-dichlorophenyl)sulfonyl-4-piperazin-1-ylindole
CID 10158464
1-[3-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]sulfonyl-4-piperazin-1-ylindole
CID 25118559
4-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole
CID 118181436
1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole
CID 10108884

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylsulfonyl-4-piperazin-1-ylindole;dihydrochloride?
The IUPAC name of 1-naphthalen-2-ylsulfonyl-4-piperazin-1-ylindole;dihydrochloride (CID 10183265) is 1-naphthalen-2-ylsulfonyl-4-piperazin-1-ylindole;dihydrochloride.
What is the SMILES notation for 1-naphthalen-2-ylsulfonyl-4-piperazin-1-ylindole;dihydrochloride?
The canonical SMILES for 1-naphthalen-2-ylsulfonyl-4-piperazin-1-ylindole;dihydrochloride is Cl.Cl.O=S(=O)(c1ccc2ccccc2c1)n1ccc2c(N3CCNCC3)cccc21.
What is the InChIKey of 1-naphthalen-2-ylsulfonyl-4-piperazin-1-ylindole;dihydrochloride?
The InChIKey is KGJULEKJQXTZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S.2ClH/c26-28(27,19-9-8-17-4-1-2-5-18(17)16-19)25-13-10-20-21(6-3-7-22(20)25)24-14-11-23-12-15-24;;/h1-10,13,16,23H,11-12,14-15H2;2*1H.
What are the key properties of 1-naphthalen-2-ylsulfonyl-4-piperazin-1-ylindole;dihydrochloride?
1-naphthalen-2-ylsulfonyl-4-piperazin-1-ylindole;dihydrochloride has a molecular weight of 464.42 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylsulfonyl-4-piperazin-1-ylindole;dihydrochloride is sourced from PubChem (CID 10183265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).