4-chloro-N-(4-fluorophenyl)-N-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide

C24H23ClFN3O3S — CID 26535482

IUPAC4-chloro-N-(4-fluorophenyl)-N-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C24H23ClFN3O3S/c1-27(19-9-7-18(26)8-10-19)33(31,32)21-11-12-23(25)22(17-21)24(30)29-15-13-28(14-16-29)20-5-3-2-4-6-20/h2-12,17H,13-16H2,1H3
InChIKeyPZCXBVVVQVXKSO-UHFFFAOYSA-N
MW487.98 g/mol
LogP4.27
Rot. Bonds5

About 4-chloro-N-(4-fluorophenyl)-N-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide

4-chloro-N-(4-fluorophenyl)-N-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 26535482) has the molecular formula C24H23ClFN3O3S and a molecular weight of 487.98 g/mol. Its IUPAC name is 4-chloro-N-(4-fluorophenyl)-N-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-fluorophenyl)-N-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID26535482
Molecular FormulaC24H23ClFN3O3S
Molecular Weight487.98 g/mol
Exact Mass487.11
IUPAC Name4-chloro-N-(4-fluorophenyl)-N-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C24H23ClFN3O3S/c1-27(19-9-7-18(26)8-10-19)33(31,32)21-11-12-23(25)22(17-21)24(30)29-15-13-28(14-16-29)20-5-3-2-4-6-20/h2-12,17H,13-16H2,1H3
InChIKeyPZCXBVVVQVXKSO-UHFFFAOYSA-N
XLogP4.27
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.98
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-fluorophenyl)-N-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-fluorophenyl)-N-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide (CID 26535482) is 4-chloro-N-(4-fluorophenyl)-N-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-fluorophenyl)-N-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-fluorophenyl)-N-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide is CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 4-chloro-N-(4-fluorophenyl)-N-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is PZCXBVVVQVXKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O3S/c1-27(19-9-7-18(26)8-10-19)33(31,32)21-11-12-23(25)22(17-21)24(30)29-15-13-28(14-16-29)20-5-3-2-4-6-20/h2-12,17H,13-16H2,1H3.
What are the key properties of 4-chloro-N-(4-fluorophenyl)-N-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide?
4-chloro-N-(4-fluorophenyl)-N-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 487.98 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-fluorophenyl)-N-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 26535482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).