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

C24H24FN3O4S — CID 2960340

IUPAC3-fluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4cccc(F)c4)cc3)CC2)cc1
InChIInChI=1S/C24H24FN3O4S/c1-32-22-11-9-21(10-12-22)27-13-15-28(16-14-27)24(29)18-5-7-20(8-6-18)26-33(30,31)23-4-2-3-19(25)17-23/h2-12,17,26H,13-16H2,1H3
InChIKeySLADHNDVHKCEFU-UHFFFAOYSA-N
MW469.54 g/mol
LogP3.60
Rot. Bonds6

About 3-fluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide

3-fluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide (PubChem CID 2960340) has the molecular formula C24H24FN3O4S and a molecular weight of 469.54 g/mol. Its IUPAC name is 3-fluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
PubChem CID2960340
Molecular FormulaC24H24FN3O4S
Molecular Weight469.54 g/mol
Exact Mass469.15
IUPAC Name3-fluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4cccc(F)c4)cc3)CC2)cc1
InChIInChI=1S/C24H24FN3O4S/c1-32-22-11-9-21(10-12-22)27-13-15-28(16-14-27)24(29)18-5-7-20(8-6-18)26-33(30,31)23-4-2-3-19(25)17-23/h2-12,17,26H,13-16H2,1H3
InChIKeySLADHNDVHKCEFU-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 3-fluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide (CID 2960340) is 3-fluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide is COc1ccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4cccc(F)c4)cc3)CC2)cc1.
What is the InChIKey of 3-fluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
The InChIKey is SLADHNDVHKCEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4S/c1-32-22-11-9-21(10-12-22)27-13-15-28(16-14-27)24(29)18-5-7-20(8-6-18)26-33(30,31)23-4-2-3-19(25)17-23/h2-12,17,26H,13-16H2,1H3.
What are the key properties of 3-fluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
3-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 3-fluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 2960340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).