2-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)piperazine-1-sulfonamide;hydrochloride

C16H27ClFN3O4S — CID 120765000

IUPAC2-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)piperazine-1-sulfonamide;hydrochloride
SMILESCOCCN(CCOC)S(=O)(=O)N1CCNCC1c1cccc(F)c1.Cl
InChIInChI=1S/C16H26FN3O4S.ClH/c1-23-10-8-19(9-11-24-2)25(21,22)20-7-6-18-13-16(20)14-4-3-5-15(17)12-14;/h3-5,12,16,18H,6-11,13H2,1-2H3;1H
InChIKeyWLESMZQOHYQDRV-UHFFFAOYSA-N
MW411.93 g/mol
LogP1.03
Rot. Bonds9

About 2-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)piperazine-1-sulfonamide;hydrochloride

2-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)piperazine-1-sulfonamide;hydrochloride (PubChem CID 120765000) has the molecular formula C16H27ClFN3O4S and a molecular weight of 411.93 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)piperazine-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)piperazine-1-sulfonamide;hydrochloride
PubChem CID120765000
Molecular FormulaC16H27ClFN3O4S
Molecular Weight411.93 g/mol
Exact Mass411.14
IUPAC Name2-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)piperazine-1-sulfonamide;hydrochloride
SMILESCOCCN(CCOC)S(=O)(=O)N1CCNCC1c1cccc(F)c1.Cl
InChIInChI=1S/C16H26FN3O4S.ClH/c1-23-10-8-19(9-11-24-2)25(21,22)20-7-6-18-13-16(20)14-4-3-5-15(17)12-14;/h3-5,12,16,18H,6-11,13H2,1-2H3;1H
InChIKeyWLESMZQOHYQDRV-UHFFFAOYSA-N
XLogP1.03
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)piperazine-1-sulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)piperazine;hydrochloride
CID 120764950
1-(2,6-dimethoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine
CID 120764422
2-(3-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonylpiperazine
CID 120764617
1-cyclopropylsulfonyl-2-(3-fluorophenyl)piperazine
CID 120764492
2-(3-chlorophenyl)-N,N-diethylpiperazine-1-sulfonamide
CID 120776944
4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-N,N-dimethylaniline;hydrochloride
CID 120764419
1-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylazepane;hydrochloride
CID 120764648
N,N-bis(2-methoxyethyl)-2-methylpiperazine-1-sulfonamide
CID 119970143
1-(3-fluoro-4-methoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine
CID 120764715
methyl 3-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylbenzoate;hydrochloride
CID 120764505
methyl 4-fluoro-2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylbenzoate;hydrochloride
CID 120764590
(2R)-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide
CID 94994297

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)piperazine-1-sulfonamide;hydrochloride?
The IUPAC name of 2-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)piperazine-1-sulfonamide;hydrochloride (CID 120765000) is 2-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)piperazine-1-sulfonamide;hydrochloride.
What is the SMILES notation for 2-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)piperazine-1-sulfonamide;hydrochloride?
The canonical SMILES for 2-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)piperazine-1-sulfonamide;hydrochloride is COCCN(CCOC)S(=O)(=O)N1CCNCC1c1cccc(F)c1.Cl.
What is the InChIKey of 2-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)piperazine-1-sulfonamide;hydrochloride?
The InChIKey is WLESMZQOHYQDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O4S.ClH/c1-23-10-8-19(9-11-24-2)25(21,22)20-7-6-18-13-16(20)14-4-3-5-15(17)12-14;/h3-5,12,16,18H,6-11,13H2,1-2H3;1H.
What are the key properties of 2-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)piperazine-1-sulfonamide;hydrochloride?
2-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)piperazine-1-sulfonamide;hydrochloride has a molecular weight of 411.93 g/mol, XLogP of 1.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)piperazine-1-sulfonamide;hydrochloride is sourced from PubChem (CID 120765000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).