1-[(2-chlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine

C21H21ClN2O2S — CID 1340037

IUPAC1-[(2-chlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C21H21ClN2O2S/c22-21-8-4-3-7-19(21)16-23-11-13-24(14-12-23)27(25,26)20-10-9-17-5-1-2-6-18(17)15-20/h1-10,15H,11-14,16H2
InChIKeyMSIJANJDFRULQF-UHFFFAOYSA-N
MW400.93 g/mol
LogP4.00
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine

1-[(2-chlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine (PubChem CID 1340037) has the molecular formula C21H21ClN2O2S and a molecular weight of 400.93 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
PubChem CID1340037
Molecular FormulaC21H21ClN2O2S
Molecular Weight400.93 g/mol
Exact Mass400.10
IUPAC Name1-[(2-chlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C21H21ClN2O2S/c22-21-8-4-3-7-19(21)16-23-11-13-24(14-12-23)27(25,26)20-10-9-17-5-1-2-6-18(17)15-20/h1-10,15H,11-14,16H2
InChIKeyMSIJANJDFRULQF-UHFFFAOYSA-N
XLogP4.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.93
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-((3-(4-(Aminomethyl)phenyl)propyl)amino)ethyl)-1-chloronaphthalene-2-sulfonamide
CID 10296435
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]naphthalene-2-sulfonamide
CID 11610908
Naphthalene-2-sulfonic acid [3-(4-benzyl-piperazin-1-yl)-propyl]-amide
CID 36418162
1-(2-Chlorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 2169034
1-[(2-Chloro-6-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonyl-1,4-diazepane
CID 2795955
1-(1-Benzylpiperidin-4-yl)-4-naphthalen-2-ylsulfonylpiperazine
CID 2902670
N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]naphthalene-2-sulfonamide
CID 42428409
1-(4-Chlorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 1148148
N-(1-benzylpiperidin-4-yl)naphthalene-2-sulfonamide;hydrochloride
CID 16196888
1-((4-(Diphenylmethyl)piperazinyl)sulfonyl)-4-chlorobenzene
CID 1075123
1-(Benzenesulfonyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine
CID 25123144
1-Benzyl-4-((4-chloro-3-(trifluoromethyl)phenyl)sulfonyl)piperazine
CID 983835

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine (CID 1340037) is 1-[(2-chlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine is O=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine?
The InChIKey is MSIJANJDFRULQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2S/c22-21-8-4-3-7-19(21)16-23-11-13-24(14-12-23)27(25,26)20-10-9-17-5-1-2-6-18(17)15-20/h1-10,15H,11-14,16H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine?
1-[(2-chlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine has a molecular weight of 400.93 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine is sourced from PubChem (CID 1340037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).