N,N-diethyl-4-fluoro-3-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide

C19H24FN3O3S2 — CID 56579481

IUPACN,N-diethyl-4-fluoro-3-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N2CCCC(c3nccs3)C2)c1
InChIInChI=1S/C19H24FN3O3S2/c1-3-23(4-2)28(25,26)15-7-8-17(20)16(12-15)19(24)22-10-5-6-14(13-22)18-21-9-11-27-18/h7-9,11-12,14H,3-6,10,13H2,1-2H3
InChIKeyODCSFBSSSJSEMP-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.33
Rot. Bonds6

About N,N-diethyl-4-fluoro-3-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide

N,N-diethyl-4-fluoro-3-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 56579481) has the molecular formula C19H24FN3O3S2 and a molecular weight of 425.55 g/mol. Its IUPAC name is N,N-diethyl-4-fluoro-3-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-fluoro-3-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID56579481
Molecular FormulaC19H24FN3O3S2
Molecular Weight425.55 g/mol
Exact Mass425.12
IUPAC NameN,N-diethyl-4-fluoro-3-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N2CCCC(c3nccs3)C2)c1
InChIInChI=1S/C19H24FN3O3S2/c1-3-23(4-2)28(25,26)15-7-8-17(20)16(12-15)19(24)22-10-5-6-14(13-22)18-21-9-11-27-18/h7-9,11-12,14H,3-6,10,13H2,1-2H3
InChIKeyODCSFBSSSJSEMP-UHFFFAOYSA-N
XLogP3.33
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-fluoro-3-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-fluoro-3-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide (CID 56579481) is N,N-diethyl-4-fluoro-3-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-fluoro-3-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-fluoro-3-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N2CCCC(c3nccs3)C2)c1.
What is the InChIKey of N,N-diethyl-4-fluoro-3-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is ODCSFBSSSJSEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3S2/c1-3-23(4-2)28(25,26)15-7-8-17(20)16(12-15)19(24)22-10-5-6-14(13-22)18-21-9-11-27-18/h7-9,11-12,14H,3-6,10,13H2,1-2H3.
What are the key properties of N,N-diethyl-4-fluoro-3-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide?
N,N-diethyl-4-fluoro-3-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 425.55 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-fluoro-3-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 56579481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).