3-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide

C20H27N3O2S — CID 42389147

IUPAC3-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C20H27N3O2S/c1-18-7-5-10-20(17-18)26(24,25)21-11-6-12-22-13-15-23(16-14-22)19-8-3-2-4-9-19/h2-5,7-10,17,21H,6,11-16H2,1H3
InChIKeyVWYOUJPOXPSJPQ-UHFFFAOYSA-N
MW373.52 g/mol
LogP2.49
Rot. Bonds7

About 3-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide

3-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide (PubChem CID 42389147) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 3-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
PubChem CID42389147
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name3-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C20H27N3O2S/c1-18-7-5-10-20(17-18)26(24,25)21-11-6-12-22-13-15-23(16-14-22)19-8-3-2-4-9-19/h2-5,7-10,17,21H,6,11-16H2,1H3
InChIKeyVWYOUJPOXPSJPQ-UHFFFAOYSA-N
XLogP2.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 52.49
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-fluoro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 34266845
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
4-N-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,4-disulfonamide
CID 55641989
4-ethoxy-3,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 42389225
N-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42389145
3-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 110371205
N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 42428628
4-fluoro-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267445
3-(ethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 33134557

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide (CID 42389147) is 3-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)NCCCN2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 3-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide?
The InChIKey is VWYOUJPOXPSJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-18-7-5-10-20(17-18)26(24,25)21-11-6-12-22-13-15-23(16-14-22)19-8-3-2-4-9-19/h2-5,7-10,17,21H,6,11-16H2,1H3.
What are the key properties of 3-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide?
3-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide has a molecular weight of 373.52 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 42389147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).