1-(4-phenylphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride

C24H25Cl2N3O2S — CID 139997494

IUPAC1-(4-phenylphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride
SMILESCl.Cl.O=S(=O)(c1ccc(-c2ccccc2)cc1)n1ccc2cc(N3CCNCC3)ccc21
InChIInChI=1S/C24H23N3O2S.2ClH/c28-30(29,23-9-6-20(7-10-23)19-4-2-1-3-5-19)27-15-12-21-18-22(8-11-24(21)27)26-16-13-25-14-17-26;;/h1-12,15,18,25H,13-14,16-17H2;2*1H
InChIKeySIBJAJKKKQZDQD-UHFFFAOYSA-N
MW490.46 g/mol
LogP4.80
Rot. Bonds4

About 1-(4-phenylphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride

1-(4-phenylphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride (PubChem CID 139997494) has the molecular formula C24H25Cl2N3O2S and a molecular weight of 490.46 g/mol. Its IUPAC name is 1-(4-phenylphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride.

Molecular Properties

Compound Name1-(4-phenylphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride
PubChem CID139997494
Molecular FormulaC24H25Cl2N3O2S
Molecular Weight490.46 g/mol
Exact Mass489.10
IUPAC Name1-(4-phenylphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride
SMILESCl.Cl.O=S(=O)(c1ccc(-c2ccccc2)cc1)n1ccc2cc(N3CCNCC3)ccc21
InChIInChI=1S/C24H23N3O2S.2ClH/c28-30(29,23-9-6-20(7-10-23)19-4-2-1-3-5-19)27-15-12-21-18-22(8-11-24(21)27)26-16-13-25-14-17-26;;/h1-12,15,18,25H,13-14,16-17H2;2*1H
InChIKeySIBJAJKKKQZDQD-UHFFFAOYSA-N
XLogP4.80
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.46
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-benzylpiperazin-1-yl)-1-(4-phenylphenyl)sulfonylindole;hydrochloride
CID 69049725
1-(3,4-dimethoxyphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride
CID 69051523
1-(4-methoxyphenyl)sulfonyl-6-piperazin-1-ylindole
CID 59781304
1-(benzenesulfonyl)-5-(4-fluorophenyl)indole
CID 164547009
1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)indole;5-(4-methylpiperazin-1-yl)-1H-indole
CID 158353083
4-[1-(4-acetamidophenyl)sulfonylindol-5-yl]piperazine-1-carboxylic acid
CID 22174836
5-(4-benzylpiperazin-1-yl)-1-(4-butoxyphenyl)sulfonylindole
CID 22015399
5-indol-1-yl-1-(4-methylphenyl)sulfonylindole
CID 177408616
N-(2-aminophenyl)-1-(4-phenylphenyl)sulfonylindole-5-carboxamide
CID 126556225
1-naphthalen-2-ylsulfonyl-4-piperazin-1-ylindole;dihydrochloride
CID 10183265
[1-(benzenesulfonyl)indol-5-yl]-[1-(benzenesulfonyl)-5-morpholin-4-ylindol-2-yl]methanol
CID 121485497
4-(4-piperazin-1-ylphenyl)benzenesulfonyl chloride
CID 121464193

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride?
The IUPAC name of 1-(4-phenylphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride (CID 139997494) is 1-(4-phenylphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride.
What is the SMILES notation for 1-(4-phenylphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride?
The canonical SMILES for 1-(4-phenylphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride is Cl.Cl.O=S(=O)(c1ccc(-c2ccccc2)cc1)n1ccc2cc(N3CCNCC3)ccc21.
What is the InChIKey of 1-(4-phenylphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride?
The InChIKey is SIBJAJKKKQZDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S.2ClH/c28-30(29,23-9-6-20(7-10-23)19-4-2-1-3-5-19)27-15-12-21-18-22(8-11-24(21)27)26-16-13-25-14-17-26;;/h1-12,15,18,25H,13-14,16-17H2;2*1H.
What are the key properties of 1-(4-phenylphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride?
1-(4-phenylphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride has a molecular weight of 490.46 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride is sourced from PubChem (CID 139997494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).