4-(4-fluorophenyl)-N,N-dimethylpiperazine-1-sulfonamide

C12H18FN3O2S — CID 669901

IUPAC4-(4-fluorophenyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C12H18FN3O2S/c1-14(2)19(17,18)16-9-7-15(8-10-16)12-5-3-11(13)4-6-12/h3-6H,7-10H2,1-2H3
InChIKeyNRSARHLFSWDPBE-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.75
Rot. Bonds3

About 4-(4-fluorophenyl)-N,N-dimethylpiperazine-1-sulfonamide

4-(4-fluorophenyl)-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 669901) has the molecular formula C12H18FN3O2S and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID669901
Molecular FormulaC12H18FN3O2S
Molecular Weight287.36 g/mol
Exact Mass287.11
IUPAC Name4-(4-fluorophenyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C12H18FN3O2S/c1-14(2)19(17,18)16-9-7-15(8-10-16)12-5-3-11(13)4-6-12/h3-6H,7-10H2,1-2H3
InChIKeyNRSARHLFSWDPBE-UHFFFAOYSA-N
XLogP0.75
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(4-fluorophenyl)-N,N-dimethylpiperazine-1-sulfonamide (CID 669901) is 4-(4-fluorophenyl)-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(4-fluorophenyl)-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is NRSARHLFSWDPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2S/c1-14(2)19(17,18)16-9-7-15(8-10-16)12-5-3-11(13)4-6-12/h3-6H,7-10H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-N,N-dimethylpiperazine-1-sulfonamide?
4-(4-fluorophenyl)-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 287.36 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 669901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).