N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide

C23H26FN3O2S — CID 42389457

IUPACN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCCN1CCN(c2ccc(F)cc2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C23H26FN3O2S/c24-21-7-9-22(10-8-21)27-16-14-26(15-17-27)13-3-12-25-30(28,29)23-11-6-19-4-1-2-5-20(19)18-23/h1-2,4-11,18,25H,3,12-17H2
InChIKeyGECSMEHFOVHAAO-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.47
Rot. Bonds7

About N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide (PubChem CID 42389457) has the molecular formula C23H26FN3O2S and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide
PubChem CID42389457
Molecular FormulaC23H26FN3O2S
Molecular Weight427.55 g/mol
Exact Mass427.17
IUPAC NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCCN1CCN(c2ccc(F)cc2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C23H26FN3O2S/c24-21-7-9-22(10-8-21)27-16-14-26(15-17-27)13-3-12-25-30(28,29)23-11-6-19-4-1-2-5-20(19)18-23/h1-2,4-11,18,25H,3,12-17H2
InChIKeyGECSMEHFOVHAAO-UHFFFAOYSA-N
XLogP3.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3,4-dimethylbenzenesulfonamide
CID 42389477
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 42389495
2-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-quinoline-6-sulfonamide
CID 22576547
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-nitrobenzenesulfonamide
CID 42389429
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-fluoro-3-methylbenzenesulfonamide
CID 42388861
N-[3-(4-phenylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide
CID 168832226
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-sulfonamide
CID 42389425
3,4-difluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42428630
N-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide
CID 66801179
4-N-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,4-disulfonamide
CID 55641989
N-(2-morpholin-4-ylethyl)naphthalene-2-sulfonamide chloride
CID 45109707
3-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 42389147

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide (CID 42389457) is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide is O=S(=O)(NCCCN1CCN(c2ccc(F)cc2)CC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide?
The InChIKey is GECSMEHFOVHAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2S/c24-21-7-9-22(10-8-21)27-16-14-26(15-17-27)13-3-12-25-30(28,29)23-11-6-19-4-1-2-5-20(19)18-23/h1-2,4-11,18,25H,3,12-17H2.
What are the key properties of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide?
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide has a molecular weight of 427.55 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 42389457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).