N,N-diethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide

C19H25FN4O2S — CID 4877422

IUPACN,N-diethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCN(c3ccccc3F)CC2)nc1
InChIInChI=1S/C19H25FN4O2S/c1-3-24(4-2)27(25,26)16-9-10-19(21-15-16)23-13-11-22(12-14-23)18-8-6-5-7-17(18)20/h5-10,15H,3-4,11-14H2,1-2H3
InChIKeyMMXBLGVPRUFSSN-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.58
Rot. Bonds6

About N,N-diethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide

N,N-diethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide (PubChem CID 4877422) has the molecular formula C19H25FN4O2S and a molecular weight of 392.50 g/mol. Its IUPAC name is N,N-diethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide
PubChem CID4877422
Molecular FormulaC19H25FN4O2S
Molecular Weight392.50 g/mol
Exact Mass392.17
IUPAC NameN,N-diethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCN(c3ccccc3F)CC2)nc1
InChIInChI=1S/C19H25FN4O2S/c1-3-24(4-2)27(25,26)16-9-10-19(21-15-16)23-13-11-22(12-14-23)18-8-6-5-7-17(18)20/h5-10,15H,3-4,11-14H2,1-2H3
InChIKeyMMXBLGVPRUFSSN-UHFFFAOYSA-N
XLogP2.58
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-6-(4-methylsulfonylpiperazin-1-yl)pyridine-3-sulfonamide
CID 24525934
6-(4-benzoylpiperazin-1-yl)-N,N-diethylpyridine-3-sulfonamide
CID 4878483
6-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-3-amine
CID 9161640
N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxaline-6-sulfonamide
CID 50840508
6-(4-acetylpiperazin-1-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 4816070
(3R)-1-[5-(diethylsulfamoyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 94434130
ethyl N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate
CID 113014423
N,N-diethyl-6-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-sulfonamide
CID 24607704
6-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethylpyridine-3-sulfonamide
CID 24606904
N-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-N-phenylpyridine-3-sulfonamide
CID 60504570
N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-4-carboxamide
CID 109174480
[4-(2-fluorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84571000

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide (CID 4877422) is N,N-diethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(N2CCN(c3ccccc3F)CC2)nc1.
What is the InChIKey of N,N-diethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide?
The InChIKey is MMXBLGVPRUFSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2S/c1-3-24(4-2)27(25,26)16-9-10-19(21-15-16)23-13-11-22(12-14-23)18-8-6-5-7-17(18)20/h5-10,15H,3-4,11-14H2,1-2H3.
What are the key properties of N,N-diethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide?
N,N-diethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide has a molecular weight of 392.50 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 4877422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).