N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxybenzenesulfonamide

C20H26FN3O3S — CID 42389467

IUPACN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H26FN3O3S/c1-27-19-7-9-20(10-8-19)28(25,26)22-11-2-12-23-13-15-24(16-14-23)18-5-3-17(21)4-6-18/h3-10,22H,2,11-16H2,1H3
InChIKeyZHZAXFCAXCANQE-UHFFFAOYSA-N
MW407.51 g/mol
LogP2.32
Rot. Bonds8

About N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxybenzenesulfonamide

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxybenzenesulfonamide (PubChem CID 42389467) has the molecular formula C20H26FN3O3S and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxybenzenesulfonamide
PubChem CID42389467
Molecular FormulaC20H26FN3O3S
Molecular Weight407.51 g/mol
Exact Mass407.17
IUPAC NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H26FN3O3S/c1-27-19-7-9-20(10-8-19)28(25,26)22-11-2-12-23-13-15-24(16-14-23)18-5-3-17(21)4-6-18/h3-10,22H,2,11-16H2,1H3
InChIKeyZHZAXFCAXCANQE-UHFFFAOYSA-N
XLogP2.32
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

SB 258585
CID 3248571
3-iodo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 10648664
N-(3-iodophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940215
3-iodo-N-(4-methoxy-3-piperazin-1-ylphenyl)benzenesulfonamide
CID 18180191
2-fluoro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)benzenesulfonamide
CID 44431547
3-fluoro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)benzenesulfonamide
CID 44431551
6-Fluoro-1-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 2933892
5-Amino-N-(2-methoxy-phenyl)-2-piperidin-1-yl-benzenesulfonamide
CID 2947325
Methyl 4-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl ether
CID 756017
N-[4-(diethylamino)phenyl]-4-methoxybenzenesulfonamide
CID 841703
N-(4-anilinophenyl)-4-methoxybenzenesulfonamide
CID 1011074
rac-N-[(1R,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 94784696

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxybenzenesulfonamide (CID 42389467) is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxybenzenesulfonamide?
The InChIKey is ZHZAXFCAXCANQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O3S/c1-27-19-7-9-20(10-8-19)28(25,26)22-11-2-12-23-13-15-24(16-14-23)18-5-3-17(21)4-6-18/h3-10,22H,2,11-16H2,1H3.
What are the key properties of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxybenzenesulfonamide?
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxybenzenesulfonamide has a molecular weight of 407.51 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 42389467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).