ethyl 2-[2-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carbonyl]hydrazinyl]acetate

C19H23ClN4O5S — CID 22710558

IUPACethyl 2-[2-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carbonyl]hydrazinyl]acetate
SMILESCCOC(=O)CNNC(=O)C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1
InChIInChI=1S/C19H23ClN4O5S/c1-2-29-18(25)11-22-23-19(26)17-12-24(8-7-21-17)30(27,28)16-6-4-13-9-15(20)5-3-14(13)10-16/h3-6,9-10,17,21-22H,2,7-8,11-12H2,1H3,(H,23,26)
InChIKeyFXXHFORJQSCVCO-UHFFFAOYSA-N
MW454.94 g/mol
LogP0.64
Rot. Bonds7

About ethyl 2-[2-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carbonyl]hydrazinyl]acetate

ethyl 2-[2-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carbonyl]hydrazinyl]acetate (PubChem CID 22710558) has the molecular formula C19H23ClN4O5S and a molecular weight of 454.94 g/mol. Its IUPAC name is ethyl 2-[2-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carbonyl]hydrazinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carbonyl]hydrazinyl]acetate
PubChem CID22710558
Molecular FormulaC19H23ClN4O5S
Molecular Weight454.94 g/mol
Exact Mass454.11
IUPAC Nameethyl 2-[2-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carbonyl]hydrazinyl]acetate
SMILESCCOC(=O)CNNC(=O)C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1
InChIInChI=1S/C19H23ClN4O5S/c1-2-29-18(25)11-22-23-19(26)17-12-24(8-7-21-17)30(27,28)16-6-4-13-9-15(20)5-3-14(13)10-16/h3-6,9-10,17,21-22H,2,7-8,11-12H2,1H3,(H,23,26)
InChIKeyFXXHFORJQSCVCO-UHFFFAOYSA-N
XLogP0.64
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.94
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carboxylate;hydrochloride
CID 22710075
4-(6-chloronaphthalen-2-yl)sulfonyl-N-methylpiperazine-2-carboxamide;hydrochloride
CID 22711079
ethyl (2R)-4-[4-(diethylsulfamoyl)phenyl]sulfonylpiperazine-2-carboxylate
CID 162365458
1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine
CID 65448434
ethyl 4-(3-chloro-4-fluorophenyl)sulfonylpiperazine-1-carboxylate
CID 3871866
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
ethyl 2-[(2R)-1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 1479023
4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylic acid
CID 54489815
ethyl 2-[4-[[(3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]amino]phenyl]acetate
CID 100799616
tert-butyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylate
CID 18761390
tert-butyl 2-[[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]cyclohexyl]amino]acetate
CID 22627941

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carbonyl]hydrazinyl]acetate?
The IUPAC name of ethyl 2-[2-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carbonyl]hydrazinyl]acetate (CID 22710558) is ethyl 2-[2-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carbonyl]hydrazinyl]acetate.
What is the SMILES notation for ethyl 2-[2-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carbonyl]hydrazinyl]acetate?
The canonical SMILES for ethyl 2-[2-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carbonyl]hydrazinyl]acetate is CCOC(=O)CNNC(=O)C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1.
What is the InChIKey of ethyl 2-[2-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carbonyl]hydrazinyl]acetate?
The InChIKey is FXXHFORJQSCVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O5S/c1-2-29-18(25)11-22-23-19(26)17-12-24(8-7-21-17)30(27,28)16-6-4-13-9-15(20)5-3-14(13)10-16/h3-6,9-10,17,21-22H,2,7-8,11-12H2,1H3,(H,23,26).
What are the key properties of ethyl 2-[2-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carbonyl]hydrazinyl]acetate?
ethyl 2-[2-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carbonyl]hydrazinyl]acetate has a molecular weight of 454.94 g/mol, XLogP of 0.64, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carbonyl]hydrazinyl]acetate is sourced from PubChem (CID 22710558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).