4-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide

C18H20FN3O3S — CID 135393501

IUPAC4-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C18H20FN3O3S/c19-16-5-1-14(2-6-16)13-21-9-11-22(12-10-21)18(23)15-3-7-17(8-4-15)26(20,24)25/h1-8H,9-13H2,(H2,20,24,25)
InChIKeyXFZDOSQYWUGODS-UHFFFAOYSA-N
MW377.44 g/mol
LogP1.43
Rot. Bonds4

About 4-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide

4-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 135393501) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide
PubChem CID135393501
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC Name4-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C18H20FN3O3S/c19-16-5-1-14(2-6-16)13-21-9-11-22(12-10-21)18(23)15-3-7-17(8-4-15)26(20,24)25/h1-8H,9-13H2,(H2,20,24,25)
InChIKeyXFZDOSQYWUGODS-UHFFFAOYSA-N
XLogP1.43
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 4-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide (CID 135393501) is 4-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 4-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 4-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide is NS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is XFZDOSQYWUGODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c19-16-5-1-14(2-6-16)13-21-9-11-22(12-10-21)18(23)15-3-7-17(8-4-15)26(20,24)25/h1-8H,9-13H2,(H2,20,24,25).
What are the key properties of 4-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide?
4-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 377.44 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 135393501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).