4-(4-fluorophenyl)sulfonyl-N,N-dimethylpiperazine-1-carboxamide

C13H18FN3O3S — CID 1094978

IUPAC4-(4-fluorophenyl)sulfonyl-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C13H18FN3O3S/c1-15(2)13(18)16-7-9-17(10-8-16)21(19,20)12-5-3-11(14)4-6-12/h3-6H,7-10H2,1-2H3
InChIKeyKVDPCAFLAKRARN-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.81
Rot. Bonds2

About 4-(4-fluorophenyl)sulfonyl-N,N-dimethylpiperazine-1-carboxamide

4-(4-fluorophenyl)sulfonyl-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 1094978) has the molecular formula C13H18FN3O3S and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyl-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonyl-N,N-dimethylpiperazine-1-carboxamide
PubChem CID1094978
Molecular FormulaC13H18FN3O3S
Molecular Weight315.37 g/mol
Exact Mass315.11
IUPAC Name4-(4-fluorophenyl)sulfonyl-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C13H18FN3O3S/c1-15(2)13(18)16-7-9-17(10-8-16)21(19,20)12-5-3-11(14)4-6-12/h3-6H,7-10H2,1-2H3
InChIKeyKVDPCAFLAKRARN-UHFFFAOYSA-N
XLogP0.81
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-fluorophenyl)sulfonyl-N,N-dimethylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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)-N,N,2-trimethylimidazolidine-1-carboxamide
CID 6498839

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfonyl-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)sulfonyl-N,N-dimethylpiperazine-1-carboxamide (CID 1094978) is 4-(4-fluorophenyl)sulfonyl-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonyl-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)sulfonyl-N,N-dimethylpiperazine-1-carboxamide is CN(C)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)sulfonyl-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is KVDPCAFLAKRARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3S/c1-15(2)13(18)16-7-9-17(10-8-16)21(19,20)12-5-3-11(14)4-6-12/h3-6H,7-10H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)sulfonyl-N,N-dimethylpiperazine-1-carboxamide?
4-(4-fluorophenyl)sulfonyl-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonyl-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 1094978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).