N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]methanesulfonamide

C19H21FN2O5S2 — CID 21300612

IUPACN-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(c2ccc(-c3ccccc3S(C)(=O)=O)cc2F)C1=O
InChIInChI=1S/C19H21FN2O5S2/c1-28(24,25)18-8-4-3-6-14(18)13-9-10-17(15(20)12-13)22-11-5-7-16(19(22)23)21-29(2,26)27/h3-4,6,8-10,12,16,21H,5,7,11H2,1-2H3
InChIKeyRYPSGCQXCVZORM-UHFFFAOYSA-N
MW440.52 g/mol
LogP1.94
Rot. Bonds5

About N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]methanesulfonamide

N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]methanesulfonamide (PubChem CID 21300612) has the molecular formula C19H21FN2O5S2 and a molecular weight of 440.52 g/mol. Its IUPAC name is N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]methanesulfonamide
PubChem CID21300612
Molecular FormulaC19H21FN2O5S2
Molecular Weight440.52 g/mol
Exact Mass440.09
IUPAC NameN-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(c2ccc(-c3ccccc3S(C)(=O)=O)cc2F)C1=O
InChIInChI=1S/C19H21FN2O5S2/c1-28(24,25)18-8-4-3-6-14(18)13-9-10-17(15(20)12-13)22-11-5-7-16(19(22)23)21-29(2,26)27/h3-4,6,8-10,12,16,21H,5,7,11H2,1-2H3
InChIKeyRYPSGCQXCVZORM-UHFFFAOYSA-N
XLogP1.94
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]methanesulfonamide (CID 21300612) is N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(c2ccc(-c3ccccc3S(C)(=O)=O)cc2F)C1=O.
What is the InChIKey of N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]methanesulfonamide?
The InChIKey is RYPSGCQXCVZORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O5S2/c1-28(24,25)18-8-4-3-6-14(18)13-9-10-17(15(20)12-13)22-11-5-7-16(19(22)23)21-29(2,26)27/h3-4,6,8-10,12,16,21H,5,7,11H2,1-2H3.
What are the key properties of N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]methanesulfonamide?
N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]methanesulfonamide has a molecular weight of 440.52 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 21300612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).