4-fluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide

C24H24FN3O4S — CID 2998546

IUPAC4-fluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)CC2)cc1
InChIInChI=1S/C24H24FN3O4S/c1-32-22-10-8-21(9-11-22)27-14-16-28(17-15-27)24(29)18-2-6-20(7-3-18)26-33(30,31)23-12-4-19(25)5-13-23/h2-13,26H,14-17H2,1H3
InChIKeyZZXYDUGSSGIMAF-UHFFFAOYSA-N
MW469.54 g/mol
LogP3.60
Rot. Bonds6

About 4-fluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide

4-fluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide (PubChem CID 2998546) has the molecular formula C24H24FN3O4S and a molecular weight of 469.54 g/mol. Its IUPAC name is 4-fluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
PubChem CID2998546
Molecular FormulaC24H24FN3O4S
Molecular Weight469.54 g/mol
Exact Mass469.15
IUPAC Name4-fluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)CC2)cc1
InChIInChI=1S/C24H24FN3O4S/c1-32-22-10-8-21(9-11-22)27-14-16-28(17-15-27)24(29)18-2-6-20(7-3-18)26-33(30,31)23-12-4-19(25)5-13-23/h2-13,26H,14-17H2,1H3
InChIKeyZZXYDUGSSGIMAF-UHFFFAOYSA-N
XLogP3.60
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide (CID 2998546) is 4-fluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide is COc1ccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)CC2)cc1.
What is the InChIKey of 4-fluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
The InChIKey is ZZXYDUGSSGIMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4S/c1-32-22-10-8-21(9-11-22)27-14-16-28(17-15-27)24(29)18-2-6-20(7-3-18)26-33(30,31)23-12-4-19(25)5-13-23/h2-13,26H,14-17H2,1H3.
What are the key properties of 4-fluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
4-fluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide has a molecular weight of 469.54 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 2998546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).