2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]acetic acid

C17H17ClN2O5S — CID 59056535

IUPAC2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C17H17ClN2O5S/c18-13-5-3-12-9-14(6-4-11(12)8-13)26(24,25)19-15-2-1-7-20(17(15)23)10-16(21)22/h3-6,8-9,15,19H,1-2,7,10H2,(H,21,22)/t15-/m0/s1
InChIKeyZZEPRUJFLKACOY-HNNXBMFYSA-N
MW396.85 g/mol
LogP1.85
Rot. Bonds5

About 2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]acetic acid

2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]acetic acid (PubChem CID 59056535) has the molecular formula C17H17ClN2O5S and a molecular weight of 396.85 g/mol. Its IUPAC name is 2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]acetic acid
PubChem CID59056535
Molecular FormulaC17H17ClN2O5S
Molecular Weight396.85 g/mol
Exact Mass396.05
IUPAC Name2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C17H17ClN2O5S/c18-13-5-3-12-9-14(6-4-11(12)8-13)26(24,25)19-15-2-1-7-20(17(15)23)10-16(21)22/h3-6,8-9,15,19H,1-2,7,10H2,(H,21,22)/t15-/m0/s1
InChIKeyZZEPRUJFLKACOY-HNNXBMFYSA-N
XLogP1.85
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.85
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]acetic acid?
The IUPAC name of 2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]acetic acid (CID 59056535) is 2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]acetic acid?
The canonical SMILES for 2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]acetic acid is O=C(O)CN1CCC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O.
What is the InChIKey of 2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]acetic acid?
The InChIKey is ZZEPRUJFLKACOY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17ClN2O5S/c18-13-5-3-12-9-14(6-4-11(12)8-13)26(24,25)19-15-2-1-7-20(17(15)23)10-16(21)22/h3-6,8-9,15,19H,1-2,7,10H2,(H,21,22)/t15-/m0/s1.
What are the key properties of 2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]acetic acid?
2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]acetic acid has a molecular weight of 396.85 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]acetic acid is sourced from PubChem (CID 59056535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).