ethyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carboxylate;hydrochloride

C17H20Cl2N2O4S — CID 22710075

IUPACethyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carboxylate;hydrochloride
SMILESCCOC(=O)C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1.Cl
InChIInChI=1S/C17H19ClN2O4S.ClH/c1-2-24-17(21)16-11-20(8-7-19-16)25(22,23)15-6-4-12-9-14(18)5-3-13(12)10-15;/h3-6,9-10,16,19H,2,7-8,11H2,1H3;1H
InChIKeyCFAOFQCHFVWYCV-UHFFFAOYSA-N
MW419.33 g/mol
LogP2.44
Rot. Bonds4

About ethyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carboxylate;hydrochloride

ethyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carboxylate;hydrochloride (PubChem CID 22710075) has the molecular formula C17H20Cl2N2O4S and a molecular weight of 419.33 g/mol. Its IUPAC name is ethyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carboxylate;hydrochloride
PubChem CID22710075
Molecular FormulaC17H20Cl2N2O4S
Molecular Weight419.33 g/mol
Exact Mass418.05
IUPAC Nameethyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carboxylate;hydrochloride
SMILESCCOC(=O)C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1.Cl
InChIInChI=1S/C17H19ClN2O4S.ClH/c1-2-24-17(21)16-11-20(8-7-19-16)25(22,23)15-6-4-12-9-14(18)5-3-13(12)10-15;/h3-6,9-10,16,19H,2,7-8,11H2,1H3;1H
InChIKeyCFAOFQCHFVWYCV-UHFFFAOYSA-N
XLogP2.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carbonyl]hydrazinyl]acetate
CID 22710558
4-(6-chloronaphthalen-2-yl)sulfonyl-N-methylpiperazine-2-carboxamide;hydrochloride
CID 22711079
ethyl (2R)-4-[4-(diethylsulfamoyl)phenyl]sulfonylpiperazine-2-carboxylate
CID 162365458
bis[4-(4-methylphenyl)sulfonylpiperazin-2-yl]methanone
CID 174594643
4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylic acid
CID 54489815
1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine
CID 65448434
tert-butyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylate
CID 18761390
ethyl 4-methylpiperazine-2-carboxylate
CID 12558522
ethyl 4-(3-chloro-4-fluorophenyl)sulfonylpiperazine-1-carboxylate
CID 3871866
ethyl 1-[(3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 126234271
tert-butyl N-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]carbamate
CID 22727220
(2S)-4-(4-butan-2-ylphenyl)sulfonylpiperazine-2-carboxylic acid
CID 136588996

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carboxylate;hydrochloride (CID 22710075) is ethyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carboxylate;hydrochloride is CCOC(=O)C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1.Cl.
What is the InChIKey of ethyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carboxylate;hydrochloride?
The InChIKey is CFAOFQCHFVWYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S.ClH/c1-2-24-17(21)16-11-20(8-7-19-16)25(22,23)15-6-4-12-9-14(18)5-3-13(12)10-15;/h3-6,9-10,16,19H,2,7-8,11H2,1H3;1H.
What are the key properties of ethyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carboxylate;hydrochloride?
ethyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carboxylate;hydrochloride has a molecular weight of 419.33 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carboxylate;hydrochloride is sourced from PubChem (CID 22710075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).