N-[2-(4-acetylpiperazin-1-yl)ethyl]-5-fluoro-2-methylbenzenesulfonamide

C15H22FN3O3S — CID 51080470

IUPACN-[2-(4-acetylpiperazin-1-yl)ethyl]-5-fluoro-2-methylbenzenesulfonamide
SMILESCC(=O)N1CCN(CCNS(=O)(=O)c2cc(F)ccc2C)CC1
InChIInChI=1S/C15H22FN3O3S/c1-12-3-4-14(16)11-15(12)23(21,22)17-5-6-18-7-9-19(10-8-18)13(2)20/h3-4,11,17H,5-10H2,1-2H3
InChIKeyWWEPJABICIZNPD-UHFFFAOYSA-N
MW343.42 g/mol
LogP0.58
Rot. Bonds5

About N-[2-(4-acetylpiperazin-1-yl)ethyl]-5-fluoro-2-methylbenzenesulfonamide

N-[2-(4-acetylpiperazin-1-yl)ethyl]-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 51080470) has the molecular formula C15H22FN3O3S and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)ethyl]-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)ethyl]-5-fluoro-2-methylbenzenesulfonamide
PubChem CID51080470
Molecular FormulaC15H22FN3O3S
Molecular Weight343.42 g/mol
Exact Mass343.14
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)ethyl]-5-fluoro-2-methylbenzenesulfonamide
SMILESCC(=O)N1CCN(CCNS(=O)(=O)c2cc(F)ccc2C)CC1
InChIInChI=1S/C15H22FN3O3S/c1-12-3-4-14(16)11-15(12)23(21,22)17-5-6-18-7-9-19(10-8-18)13(2)20/h3-4,11,17H,5-10H2,1-2H3
InChIKeyWWEPJABICIZNPD-UHFFFAOYSA-N
XLogP0.58
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)ethyl]-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)ethyl]-5-fluoro-2-methylbenzenesulfonamide (CID 51080470) is N-[2-(4-acetylpiperazin-1-yl)ethyl]-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)ethyl]-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)ethyl]-5-fluoro-2-methylbenzenesulfonamide is CC(=O)N1CCN(CCNS(=O)(=O)c2cc(F)ccc2C)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)ethyl]-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is WWEPJABICIZNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O3S/c1-12-3-4-14(16)11-15(12)23(21,22)17-5-6-18-7-9-19(10-8-18)13(2)20/h3-4,11,17H,5-10H2,1-2H3.
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)ethyl]-5-fluoro-2-methylbenzenesulfonamide?
N-[2-(4-acetylpiperazin-1-yl)ethyl]-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 343.42 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)ethyl]-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 51080470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).