N-[4-(4-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide

C18H17F3N2O3S — CID 22220436

IUPACN-[4-(4-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=C1CCN(c2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C18H17F3N2O3S/c19-18(20,21)13-1-7-17(8-2-13)27(25,26)22-14-3-5-15(6-4-14)23-11-9-16(24)10-12-23/h1-8,22H,9-12H2
InChIKeyGMEQYIHHLPQRCW-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.68
Rot. Bonds4

About N-[4-(4-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide

N-[4-(4-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 22220436) has the molecular formula C18H17F3N2O3S and a molecular weight of 398.41 g/mol. Its IUPAC name is N-[4-(4-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID22220436
Molecular FormulaC18H17F3N2O3S
Molecular Weight398.41 g/mol
Exact Mass398.09
IUPAC NameN-[4-(4-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=C1CCN(c2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C18H17F3N2O3S/c19-18(20,21)13-1-7-17(8-2-13)27(25,26)22-14-3-5-15(6-4-14)23-11-9-16(24)10-12-23/h1-8,22H,9-12H2
InChIKeyGMEQYIHHLPQRCW-UHFFFAOYSA-N
XLogP3.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-cyano-N-[4-(4-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 22220341
4-bromo-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2212078
4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3791590
4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 99957298
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 8841908
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-N-[4-(4-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 22220503
N-(4-pyrrolidin-1-ylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694532
N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 7202474
4-fluoro-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide
CID 6927654
4-cyclopentyloxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 113098678
3,5-difluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970283

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[4-(4-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide (CID 22220436) is N-[4-(4-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-(4-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[4-(4-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide is O=C1CCN(c2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)CC1.
What is the InChIKey of N-[4-(4-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is GMEQYIHHLPQRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3S/c19-18(20,21)13-1-7-17(8-2-13)27(25,26)22-14-3-5-15(6-4-14)23-11-9-16(24)10-12-23/h1-8,22H,9-12H2.
What are the key properties of N-[4-(4-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[4-(4-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 398.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 22220436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).