N-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-fluorophenyl]-4-methylbenzamide

C24H23ClFN3O3S — CID 1485265

IUPACN-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-fluorophenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)c(F)c2)cc1
InChIInChI=1S/C24H23ClFN3O3S/c1-17-2-4-18(5-3-17)24(30)27-20-8-11-23(22(26)16-20)28-12-14-29(15-13-28)33(31,32)21-9-6-19(25)7-10-21/h2-11,16H,12-15H2,1H3,(H,27,30)
InChIKeyKTEQYRLRZMFEKR-UHFFFAOYSA-N
MW487.98 g/mol
LogP4.55
Rot. Bonds5

About N-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-fluorophenyl]-4-methylbenzamide

N-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-fluorophenyl]-4-methylbenzamide (PubChem CID 1485265) has the molecular formula C24H23ClFN3O3S and a molecular weight of 487.98 g/mol. Its IUPAC name is N-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-fluorophenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-fluorophenyl]-4-methylbenzamide
PubChem CID1485265
Molecular FormulaC24H23ClFN3O3S
Molecular Weight487.98 g/mol
Exact Mass487.11
IUPAC NameN-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-fluorophenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)c(F)c2)cc1
InChIInChI=1S/C24H23ClFN3O3S/c1-17-2-4-18(5-3-17)24(30)27-20-8-11-23(22(26)16-20)28-12-14-29(15-13-28)33(31,32)21-9-6-19(25)7-10-21/h2-11,16H,12-15H2,1H3,(H,27,30)
InChIKeyKTEQYRLRZMFEKR-UHFFFAOYSA-N
XLogP4.55
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.98
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-fluorophenyl]-4-methylbenzamide?
The IUPAC name of N-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-fluorophenyl]-4-methylbenzamide (CID 1485265) is N-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-fluorophenyl]-4-methylbenzamide.
What is the SMILES notation for N-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-fluorophenyl]-4-methylbenzamide?
The canonical SMILES for N-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-fluorophenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)c(F)c2)cc1.
What is the InChIKey of N-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-fluorophenyl]-4-methylbenzamide?
The InChIKey is KTEQYRLRZMFEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O3S/c1-17-2-4-18(5-3-17)24(30)27-20-8-11-23(22(26)16-20)28-12-14-29(15-13-28)33(31,32)21-9-6-19(25)7-10-21/h2-11,16H,12-15H2,1H3,(H,27,30).
What are the key properties of N-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-fluorophenyl]-4-methylbenzamide?
N-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-fluorophenyl]-4-methylbenzamide has a molecular weight of 487.98 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-fluorophenyl]-4-methylbenzamide is sourced from PubChem (CID 1485265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).