N-[4-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]sulfonylphenyl]acetamide

C19H22FN3O3S — CID 53189152

IUPACN-[4-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C19H22FN3O3S/c1-14(24)21-17-7-9-18(10-8-17)27(25,26)23-12-11-22(2)19(13-23)15-3-5-16(20)6-4-15/h3-10,19H,11-13H2,1-2H3,(H,21,24)
InChIKeyQOGZCANRRXXMEU-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.46
Rot. Bonds4

About N-[4-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]sulfonylphenyl]acetamide

N-[4-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 53189152) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[4-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID53189152
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC NameN-[4-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C19H22FN3O3S/c1-14(24)21-17-7-9-18(10-8-17)27(25,26)23-12-11-22(2)19(13-23)15-3-5-16(20)6-4-15/h3-10,19H,11-13H2,1-2H3,(H,21,24)
InChIKeyQOGZCANRRXXMEU-UHFFFAOYSA-N
XLogP2.46
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]sulfonylphenyl]acetamide (CID 53189152) is N-[4-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)C(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of N-[4-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is QOGZCANRRXXMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-14(24)21-17-7-9-18(10-8-17)27(25,26)23-12-11-22(2)19(13-23)15-3-5-16(20)6-4-15/h3-10,19H,11-13H2,1-2H3,(H,21,24).
What are the key properties of N-[4-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]sulfonylphenyl]acetamide?
N-[4-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 391.47 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 53189152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).