1-(8-chloronaphthalen-1-yl)sulfonyl-4-phenylpiperazine

C20H19ClN2O2S — CID 3836350

IUPAC1-(8-chloronaphthalen-1-yl)sulfonyl-4-phenylpiperazine
SMILESO=S(=O)(c1cccc2cccc(Cl)c12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H19ClN2O2S/c21-18-10-4-6-16-7-5-11-19(20(16)18)26(24,25)23-14-12-22(13-15-23)17-8-2-1-3-9-17/h1-11H,12-15H2
InChIKeyKIBINDOWUJZVDR-UHFFFAOYSA-N
MW386.90 g/mol
LogP4.00
Rot. Bonds3

About 1-(8-chloronaphthalen-1-yl)sulfonyl-4-phenylpiperazine

1-(8-chloronaphthalen-1-yl)sulfonyl-4-phenylpiperazine (PubChem CID 3836350) has the molecular formula C20H19ClN2O2S and a molecular weight of 386.90 g/mol. Its IUPAC name is 1-(8-chloronaphthalen-1-yl)sulfonyl-4-phenylpiperazine.

Molecular Properties

Compound Name1-(8-chloronaphthalen-1-yl)sulfonyl-4-phenylpiperazine
PubChem CID3836350
Molecular FormulaC20H19ClN2O2S
Molecular Weight386.90 g/mol
Exact Mass386.09
IUPAC Name1-(8-chloronaphthalen-1-yl)sulfonyl-4-phenylpiperazine
SMILESO=S(=O)(c1cccc2cccc(Cl)c12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H19ClN2O2S/c21-18-10-4-6-16-7-5-11-19(20(16)18)26(24,25)23-14-12-22(13-15-23)17-8-2-1-3-9-17/h1-11H,12-15H2
InChIKeyKIBINDOWUJZVDR-UHFFFAOYSA-N
XLogP4.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine
CID 11951648
1-(8-chloronaphthalen-1-yl)sulfonyl-4-(4-nitrophenyl)piperazine;1,4-dioxane
CID 18531617
1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 3520156
4-benzyl-1-(8-chloronaphthalen-1-yl)sulfonylpiperidine
CID 4585245
1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,5-dimethylphenyl)piperazine
CID 4678794
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211
1-(2,3-dichlorophenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 27305897
[4-(8-chloronaphthalen-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 3264511
2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylbenzonitrile
CID 3305969
ethyl 2-[4-(8-chloronaphthalen-1-yl)sulfonylpiperazin-1-yl]acetate
CID 3300385
8-chloro-N-(4-morpholin-4-ylphenyl)naphthalene-1-sulfonamide
CID 25037325
1-(3-chloro-2-pyridinyl)-4-naphthalen-1-ylsulfonylpiperazine
CID 68550970

Frequently Asked Questions

What is the IUPAC name of 1-(8-chloronaphthalen-1-yl)sulfonyl-4-phenylpiperazine?
The IUPAC name of 1-(8-chloronaphthalen-1-yl)sulfonyl-4-phenylpiperazine (CID 3836350) is 1-(8-chloronaphthalen-1-yl)sulfonyl-4-phenylpiperazine.
What is the SMILES notation for 1-(8-chloronaphthalen-1-yl)sulfonyl-4-phenylpiperazine?
The canonical SMILES for 1-(8-chloronaphthalen-1-yl)sulfonyl-4-phenylpiperazine is O=S(=O)(c1cccc2cccc(Cl)c12)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(8-chloronaphthalen-1-yl)sulfonyl-4-phenylpiperazine?
The InChIKey is KIBINDOWUJZVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2S/c21-18-10-4-6-16-7-5-11-19(20(16)18)26(24,25)23-14-12-22(13-15-23)17-8-2-1-3-9-17/h1-11H,12-15H2.
What are the key properties of 1-(8-chloronaphthalen-1-yl)sulfonyl-4-phenylpiperazine?
1-(8-chloronaphthalen-1-yl)sulfonyl-4-phenylpiperazine has a molecular weight of 386.90 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloronaphthalen-1-yl)sulfonyl-4-phenylpiperazine is sourced from PubChem (CID 3836350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).