4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide

C14H23N3O2S — CID 170862464

IUPAC4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESCN1CCN(CCCc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C14H23N3O2S/c1-16-9-11-17(12-10-16)8-2-3-13-4-6-14(7-5-13)20(15,18)19/h4-7H,2-3,8-12H2,1H3,(H2,15,18,19)
InChIKeyOIVAKAPPWZKMMF-UHFFFAOYSA-N
MW297.42 g/mol
LogP0.51
Rot. Bonds5

About 4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide

4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide (PubChem CID 170862464) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
PubChem CID170862464
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESCN1CCN(CCCc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C14H23N3O2S/c1-16-9-11-17(12-10-16)8-2-3-13-4-6-14(7-5-13)20(15,18)19/h4-7H,2-3,8-12H2,1H3,(H2,15,18,19)
InChIKeyOIVAKAPPWZKMMF-UHFFFAOYSA-N
XLogP0.51
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-pentyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide
CID 113109842
3-[4-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]propyl 4-methylbenzenesulfonate
CID 170862606
trifluoro-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]boranuide
CID 170862731
1-methyl-4-[[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]-1,4-diazepane
CID 170863358
4-[2-[4-(3-methylbutanoyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 113074464
4-nonylbenzenesulfonamide
CID 19845394
4-methyl-N-(4-methylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]aniline
CID 170864082
N-(3-morpholin-4-ylpropyl)-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108518499
N-prop-2-enyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide
CID 113103670
4-[3-(4-methylpiperazin-1-yl)propyl]-N,N-dipropylaniline
CID 170863447
4-[2-[(1-propylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
CID 119164939
2-ethoxy-5-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 82071130

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide (CID 170862464) is 4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide is CN1CCN(CCCc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
The InChIKey is OIVAKAPPWZKMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-16-9-11-17(12-10-16)8-2-3-13-4-6-14(7-5-13)20(15,18)19/h4-7H,2-3,8-12H2,1H3,(H2,15,18,19).
What are the key properties of 4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 170862464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).