2-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]amino]acetate

C16H15ClN3O5S- — CID 22727188

IUPAC2-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]amino]acetate
SMILESO=C([O-])CNN1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1=O
InChIInChI=1S/C16H16ClN3O5S/c17-13-3-1-12-8-14(4-2-11(12)7-13)26(24,25)19-5-6-20(15(21)10-19)18-9-16(22)23/h1-4,7-8,18H,5-6,9-10H2,(H,22,23)/p-1
InChIKeyFGILTTUIDYIGKU-UHFFFAOYSA-M
MW396.83 g/mol
LogP-0.42
Rot. Bonds5

About 2-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]amino]acetate

2-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]amino]acetate (PubChem CID 22727188) has the molecular formula C16H15ClN3O5S- and a molecular weight of 396.83 g/mol. Its IUPAC name is 2-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]amino]acetate.

Molecular Properties

Compound Name2-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]amino]acetate
PubChem CID22727188
Molecular FormulaC16H15ClN3O5S-
Molecular Weight396.83 g/mol
Exact Mass396.04
IUPAC Name2-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]amino]acetate
SMILESO=C([O-])CNN1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1=O
InChIInChI=1S/C16H16ClN3O5S/c17-13-3-1-12-8-14(4-2-11(12)7-13)26(24,25)19-5-6-20(15(21)10-19)18-9-16(22)23/h1-4,7-8,18H,5-6,9-10H2,(H,22,23)/p-1
InChIKeyFGILTTUIDYIGKU-UHFFFAOYSA-M
XLogP-0.42
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6-chloronaphthalen-2-yl)sulfonyl-1-[[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]methylamino]piperazin-2-one
CID 22727130
4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylic acid
CID 54489815
4-(6-chloronaphthalen-2-yl)sulfonyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-one
CID 23447419
2-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)amino]acetic acid
CID 22727182
methyl 4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]-1-pyridin-4-ylpiperidine-4-carboxylate;hydrochloride
CID 23447475
6-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]pyridine-3-carbonitrile
CID 23447339
tert-butyl N-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]carbamate
CID 22727220
N'-[4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]cyclohexyl]ethanimidamide
CID 23447346
4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxo-1,4-diazepan-1-yl]methyl]benzonitrile
CID 23447306
4-(6-chloronaphthalen-2-yl)sulfonyl-1-[[4-(hydroxymethyl)-1-pyridin-4-ylpiperidin-4-yl]methyl]piperazin-2-one
CID 5289586
tert-butyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylate
CID 18761390
6-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]pyridine-3-carboximidamide;dihydrochloride
CID 23447407

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]amino]acetate?
The IUPAC name of 2-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]amino]acetate (CID 22727188) is 2-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]amino]acetate.
What is the SMILES notation for 2-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]amino]acetate?
The canonical SMILES for 2-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]amino]acetate is O=C([O-])CNN1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1=O.
What is the InChIKey of 2-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]amino]acetate?
The InChIKey is FGILTTUIDYIGKU-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H16ClN3O5S/c17-13-3-1-12-8-14(4-2-11(12)7-13)26(24,25)19-5-6-20(15(21)10-19)18-9-16(22)23/h1-4,7-8,18H,5-6,9-10H2,(H,22,23)/p-1.
What are the key properties of 2-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]amino]acetate?
2-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]amino]acetate has a molecular weight of 396.83 g/mol, XLogP of -0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]amino]acetate is sourced from PubChem (CID 22727188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).