3-fluoro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzenesulfonamide

C20H26FN3O2S — CID 34266845

IUPAC3-fluoro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzenesulfonamide
SMILESCc1cccc(N2CCN(CCCNS(=O)(=O)c3cccc(F)c3)CC2)c1
InChIInChI=1S/C20H26FN3O2S/c1-17-5-2-7-19(15-17)24-13-11-23(12-14-24)10-4-9-22-27(25,26)20-8-3-6-18(21)16-20/h2-3,5-8,15-16,22H,4,9-14H2,1H3
InChIKeyGAMARVTVGGLQCR-UHFFFAOYSA-N
MW391.51 g/mol
LogP2.62
Rot. Bonds7

About 3-fluoro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzenesulfonamide

3-fluoro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzenesulfonamide (PubChem CID 34266845) has the molecular formula C20H26FN3O2S and a molecular weight of 391.51 g/mol. Its IUPAC name is 3-fluoro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzenesulfonamide
PubChem CID34266845
Molecular FormulaC20H26FN3O2S
Molecular Weight391.51 g/mol
Exact Mass391.17
IUPAC Name3-fluoro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzenesulfonamide
SMILESCc1cccc(N2CCN(CCCNS(=O)(=O)c3cccc(F)c3)CC2)c1
InChIInChI=1S/C20H26FN3O2S/c1-17-5-2-7-19(15-17)24-13-11-23(12-14-24)10-4-9-22-27(25,26)20-8-3-6-18(21)16-20/h2-3,5-8,15-16,22H,4,9-14H2,1H3
InChIKeyGAMARVTVGGLQCR-UHFFFAOYSA-N
XLogP2.62
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 52.62
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

3-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 42389147
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyridine-3-sulfonamide
CID 55819973
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 34266967
4-methoxy-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 34266899
4-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-3-nitrobenzenesulfonamide
CID 34267008
3-[(4-fluorophenyl)sulfonylamino]-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 55662298
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propane-1-sulfonamide
CID 60580865
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3,4-dimethylbenzenesulfonamide
CID 42389477
3-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206339
3-fluoro-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide
CID 100653397
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide
CID 42389457
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-fluoro-3-methylbenzenesulfonamide
CID 42388861

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzenesulfonamide (CID 34266845) is 3-fluoro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzenesulfonamide is Cc1cccc(N2CCN(CCCNS(=O)(=O)c3cccc(F)c3)CC2)c1.
What is the InChIKey of 3-fluoro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzenesulfonamide?
The InChIKey is GAMARVTVGGLQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2S/c1-17-5-2-7-19(15-17)24-13-11-23(12-14-24)10-4-9-22-27(25,26)20-8-3-6-18(21)16-20/h2-3,5-8,15-16,22H,4,9-14H2,1H3.
What are the key properties of 3-fluoro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzenesulfonamide?
3-fluoro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzenesulfonamide has a molecular weight of 391.51 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzenesulfonamide is sourced from PubChem (CID 34266845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).