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

C24H24FN3O4S — CID 2106114

IUPAC4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)cc1
InChIInChI=1S/C24H24FN3O4S/c1-32-22-10-6-20(7-11-22)26-33(30,31)23-12-2-18(3-13-23)24(29)28-16-14-27(15-17-28)21-8-4-19(25)5-9-21/h2-13,26H,14-17H2,1H3
InChIKeyXRQVSOIGWCVTOG-UHFFFAOYSA-N
MW469.54 g/mol
LogP3.60
Rot. Bonds6

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

4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 2106114) has the molecular formula C24H24FN3O4S and a molecular weight of 469.54 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID2106114
Molecular FormulaC24H24FN3O4S
Molecular Weight469.54 g/mol
Exact Mass469.15
IUPAC Name4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)cc1
InChIInChI=1S/C24H24FN3O4S/c1-32-22-10-6-20(7-11-22)26-33(30,31)23-12-2-18(3-13-23)24(29)28-16-14-27(15-17-28)21-8-4-19(25)5-9-21/h2-13,26H,14-17H2,1H3
InChIKeyXRQVSOIGWCVTOG-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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide (CID 2106114) is 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is XRQVSOIGWCVTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4S/c1-32-22-10-6-20(7-11-22)26-33(30,31)23-12-2-18(3-13-23)24(29)28-16-14-27(15-17-28)21-8-4-19(25)5-9-21/h2-13,26H,14-17H2,1H3.
What are the key properties of 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide?
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)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-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 2106114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).