6-chloro-N-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide

C26H21ClFN3O4S — CID 10098361

IUPAC6-chloro-N-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide
SMILESO=C1C(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCCN1c1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C26H21ClFN3O4S/c27-19-8-6-18-15-21(10-7-17(18)14-19)36(34,35)29-23-4-3-13-31(26(23)33)24-11-9-20(16-22(24)28)30-12-2-1-5-25(30)32/h1-2,5-12,14-16,23,29H,3-4,13H2
InChIKeyZZCDITNUCFNEMT-UHFFFAOYSA-N
MW525.99 g/mol
LogP4.26
Rot. Bonds5

About 6-chloro-N-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide

6-chloro-N-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide (PubChem CID 10098361) has the molecular formula C26H21ClFN3O4S and a molecular weight of 525.99 g/mol. Its IUPAC name is 6-chloro-N-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide
PubChem CID10098361
Molecular FormulaC26H21ClFN3O4S
Molecular Weight525.99 g/mol
Exact Mass525.09
IUPAC Name6-chloro-N-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide
SMILESO=C1C(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCCN1c1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C26H21ClFN3O4S/c27-19-8-6-18-15-21(10-7-17(18)14-19)36(34,35)29-23-4-3-13-31(26(23)33)24-11-9-20(16-22(24)28)30-12-2-1-5-25(30)32/h1-2,5-12,14-16,23,29H,3-4,13H2
InChIKeyZZCDITNUCFNEMT-UHFFFAOYSA-N
XLogP4.26
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.99
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide?
The IUPAC name of 6-chloro-N-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide (CID 10098361) is 6-chloro-N-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for 6-chloro-N-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide?
The canonical SMILES for 6-chloro-N-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide is O=C1C(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCCN1c1ccc(-n2ccccc2=O)cc1F.
What is the InChIKey of 6-chloro-N-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide?
The InChIKey is ZZCDITNUCFNEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClFN3O4S/c27-19-8-6-18-15-21(10-7-17(18)14-19)36(34,35)29-23-4-3-13-31(26(23)33)24-11-9-20(16-22(24)28)30-12-2-1-5-25(30)32/h1-2,5-12,14-16,23,29H,3-4,13H2.
What are the key properties of 6-chloro-N-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide?
6-chloro-N-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide has a molecular weight of 525.99 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 10098361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).