N-(3-methoxypropyl)-4-(4-methylpiperazine-1-carbonyl)benzenesulfonamide

C16H25N3O4S — CID 109059876

IUPACN-(3-methoxypropyl)-4-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C16H25N3O4S/c1-18-9-11-19(12-10-18)16(20)14-4-6-15(7-5-14)24(21,22)17-8-3-13-23-2/h4-7,17H,3,8-13H2,1-2H3
InChIKeyIYPNJXGUELGFDK-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.39
Rot. Bonds7

About N-(3-methoxypropyl)-4-(4-methylpiperazine-1-carbonyl)benzenesulfonamide

N-(3-methoxypropyl)-4-(4-methylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 109059876) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-(4-methylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID109059876
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC NameN-(3-methoxypropyl)-4-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C16H25N3O4S/c1-18-9-11-19(12-10-18)16(20)14-4-6-15(7-5-14)24(21,22)17-8-3-13-23-2/h4-7,17H,3,8-13H2,1-2H3
InChIKeyIYPNJXGUELGFDK-UHFFFAOYSA-N
XLogP0.39
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.39
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

4-(4-acetylpiperazine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 34840068
4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide
CID 56512190
1-(4-chlorobenzoyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17119336
1-(4-fluorobenzoyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17224019
4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656660
N-pentyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059171
4-(cyclopropanecarbonyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 82165049
4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 3641567
N-(2-methoxyethyl)-4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 55956569
N-butyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 17226728
3-[(4-fluorophenyl)sulfonylamino]-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide
CID 55708983
4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide
CID 24584236

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-(4-methylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(3-methoxypropyl)-4-(4-methylpiperazine-1-carbonyl)benzenesulfonamide (CID 109059876) is N-(3-methoxypropyl)-4-(4-methylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-(4-methylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(3-methoxypropyl)-4-(4-methylpiperazine-1-carbonyl)benzenesulfonamide is COCCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of N-(3-methoxypropyl)-4-(4-methylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is IYPNJXGUELGFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-18-9-11-19(12-10-18)16(20)14-4-6-15(7-5-14)24(21,22)17-8-3-13-23-2/h4-7,17H,3,8-13H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)-4-(4-methylpiperazine-1-carbonyl)benzenesulfonamide?
N-(3-methoxypropyl)-4-(4-methylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 0.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-(4-methylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 109059876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).