1-(2-chlorophenyl)-4-naphthalen-2-ylsulfonylpiperazin-1-ium

C20H20ClN2O2S+ — CID 3390322

IUPAC1-(2-chlorophenyl)-4-naphthalen-2-ylsulfonylpiperazin-1-ium
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CC[NH+](c2ccccc2Cl)CC1
InChIInChI=1S/C20H19ClN2O2S/c21-19-7-3-4-8-20(19)22-11-13-23(14-12-22)26(24,25)18-10-9-16-5-1-2-6-17(16)15-18/h1-10,15H,11-14H2/p+1
InChIKeyCEQRSYQJXSTFPN-UHFFFAOYSA-O
MW387.91 g/mol
LogP2.71
Rot. Bonds3

About 1-(2-chlorophenyl)-4-naphthalen-2-ylsulfonylpiperazin-1-ium

1-(2-chlorophenyl)-4-naphthalen-2-ylsulfonylpiperazin-1-ium (PubChem CID 3390322) has the molecular formula C20H20ClN2O2S+ and a molecular weight of 387.91 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-naphthalen-2-ylsulfonylpiperazin-1-ium.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-naphthalen-2-ylsulfonylpiperazin-1-ium
PubChem CID3390322
Molecular FormulaC20H20ClN2O2S+
Molecular Weight387.91 g/mol
Exact Mass387.09
IUPAC Name1-(2-chlorophenyl)-4-naphthalen-2-ylsulfonylpiperazin-1-ium
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CC[NH+](c2ccccc2Cl)CC1
InChIInChI=1S/C20H19ClN2O2S/c21-19-7-3-4-8-20(19)22-11-13-23(14-12-22)26(24,25)18-10-9-16-5-1-2-6-17(16)15-18/h1-10,15H,11-14H2/p+1
InChIKeyCEQRSYQJXSTFPN-UHFFFAOYSA-O
XLogP2.71
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 4059396
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4-cyclopropylidene-1-naphthalen-2-ylsulfonylpiperidine
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1-[(2,6-dichlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1282318
1-methyl-4-naphthalen-2-ylsulfonyl-1,4-diazepan-1-ium
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(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanenitrile
CID 8743070
1-naphthalen-2-ylsulfonyl-4-phenylpiperidine
CID 4729267
1-[(3-chloro-4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 22208128
N-(2-chlorophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26574910
1-methylsulfonyl-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid
CID 126477286
1-naphthalen-2-ylsulfonyl-4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium
CID 4755936

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-naphthalen-2-ylsulfonylpiperazin-1-ium?
The IUPAC name of 1-(2-chlorophenyl)-4-naphthalen-2-ylsulfonylpiperazin-1-ium (CID 3390322) is 1-(2-chlorophenyl)-4-naphthalen-2-ylsulfonylpiperazin-1-ium.
What is the SMILES notation for 1-(2-chlorophenyl)-4-naphthalen-2-ylsulfonylpiperazin-1-ium?
The canonical SMILES for 1-(2-chlorophenyl)-4-naphthalen-2-ylsulfonylpiperazin-1-ium is O=S(=O)(c1ccc2ccccc2c1)N1CC[NH+](c2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-4-naphthalen-2-ylsulfonylpiperazin-1-ium?
The InChIKey is CEQRSYQJXSTFPN-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H19ClN2O2S/c21-19-7-3-4-8-20(19)22-11-13-23(14-12-22)26(24,25)18-10-9-16-5-1-2-6-17(16)15-18/h1-10,15H,11-14H2/p+1.
What are the key properties of 1-(2-chlorophenyl)-4-naphthalen-2-ylsulfonylpiperazin-1-ium?
1-(2-chlorophenyl)-4-naphthalen-2-ylsulfonylpiperazin-1-ium has a molecular weight of 387.91 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-naphthalen-2-ylsulfonylpiperazin-1-ium is sourced from PubChem (CID 3390322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).