N,N-diethyl-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide

C15H22FN3O3S — CID 973779

IUPACN,N-diethyl-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FN3O3S/c1-3-17(4-2)15(20)18-9-11-19(12-10-18)23(21,22)14-7-5-13(16)6-8-14/h5-8H,3-4,9-12H2,1-2H3
InChIKeyNGBQURRSWWBHDC-UHFFFAOYSA-N
MW343.42 g/mol
LogP1.59
Rot. Bonds4

About N,N-diethyl-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide

N,N-diethyl-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 973779) has the molecular formula C15H22FN3O3S and a molecular weight of 343.42 g/mol. Its IUPAC name is N,N-diethyl-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide
PubChem CID973779
Molecular FormulaC15H22FN3O3S
Molecular Weight343.42 g/mol
Exact Mass343.14
IUPAC NameN,N-diethyl-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FN3O3S/c1-3-17(4-2)15(20)18-9-11-19(12-10-18)23(21,22)14-7-5-13(16)6-8-14/h5-8H,3-4,9-12H2,1-2H3
InChIKeyNGBQURRSWWBHDC-UHFFFAOYSA-N
XLogP1.59
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-Fluorophenyl)sulfonyl]-1,3,5-triazabicyclo[3.2.1]octane
CID 4749448
1-Methyl-4-(phenylsulfonyl)piperazine
CID 260251
(4-(Phenylsulfonyl)piperazin-1-yl)(pyrrolidin-1-yl)methanone
CID 701243
4-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide
CID 715059
FR 121196
CID 131688
Ethyl 4-(4-fluorophenyl)sulfonylpiperazine-1-carboxylate
CID 655915
4-fluoro-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 895452
[4-(4-Fluoro-benzenesulfonyl)-piperazin-1-yl]-morpholin-4-yl-methanone
CID 1094976
N,N-dimethyl-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 2928101
N,N-diethyl-4-(phenylsulfonyl)piperazine-1-carboxamide
CID 2928233
[4-(Benzenesulfonyl)-1-piperazinyl]-(1-piperidinyl)methanone
CID 2929432
3-Benzenesulfonyl-2-methyl-imidazolidine-1-carboxylic acid dimethylamide
CID 6498839

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide (CID 973779) is N,N-diethyl-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N,N-diethyl-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is NGBQURRSWWBHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O3S/c1-3-17(4-2)15(20)18-9-11-19(12-10-18)23(21,22)14-7-5-13(16)6-8-14/h5-8H,3-4,9-12H2,1-2H3.
What are the key properties of N,N-diethyl-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide?
N,N-diethyl-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 343.42 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 973779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).