3-amino-N-(2-methoxyphenyl)-4-piperazin-1-ylbenzenesulfonamide;hydrochloride

C17H23ClN4O3S — CID 22272475

IUPAC3-amino-N-(2-methoxyphenyl)-4-piperazin-1-ylbenzenesulfonamide;hydrochloride
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(N2CCNCC2)c(N)c1.Cl
InChIInChI=1S/C17H22N4O3S.ClH/c1-24-17-5-3-2-4-15(17)20-25(22,23)13-6-7-16(14(18)12-13)21-10-8-19-9-11-21;/h2-7,12,19-20H,8-11,18H2,1H3;1H
InChIKeyPZKUVPMTEYIEQM-UHFFFAOYSA-N
MW398.92 g/mol
LogP1.91
Rot. Bonds5

About 3-amino-N-(2-methoxyphenyl)-4-piperazin-1-ylbenzenesulfonamide;hydrochloride

3-amino-N-(2-methoxyphenyl)-4-piperazin-1-ylbenzenesulfonamide;hydrochloride (PubChem CID 22272475) has the molecular formula C17H23ClN4O3S and a molecular weight of 398.92 g/mol. Its IUPAC name is 3-amino-N-(2-methoxyphenyl)-4-piperazin-1-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-methoxyphenyl)-4-piperazin-1-ylbenzenesulfonamide;hydrochloride
PubChem CID22272475
Molecular FormulaC17H23ClN4O3S
Molecular Weight398.92 g/mol
Exact Mass398.12
IUPAC Name3-amino-N-(2-methoxyphenyl)-4-piperazin-1-ylbenzenesulfonamide;hydrochloride
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(N2CCNCC2)c(N)c1.Cl
InChIInChI=1S/C17H22N4O3S.ClH/c1-24-17-5-3-2-4-15(17)20-25(22,23)13-6-7-16(14(18)12-13)21-10-8-19-9-11-21;/h2-7,12,19-20H,8-11,18H2,1H3;1H
InChIKeyPZKUVPMTEYIEQM-UHFFFAOYSA-N
XLogP1.91
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.92
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-N-(2-methoxyphenyl)-4-piperazin-1-ylbenzenesulfonamide;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

3-amino-N-phenyl-4-piperazin-1-ylbenzenesulfonamide
CID 22272481
4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 2330520
3-amino-N-(3-chloro-2-methylphenyl)-4-(1,4-diazepan-1-yl)benzenesulfonamide;hydrochloride
CID 10224673
N-(2-tert-butylphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 18354562
3-amino-4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 68713961
3-amino-4-(1,4-diazepin-1-yl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 141060968
4-amino-3-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 82843777
3-amino-4-(1,4-diazepan-1-yl)-N-methyl-N-phenylbenzenesulfonamide;hydrochloride
CID 10157618
3-amino-4-(1,4-diazepan-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide;N-[2-[benzenesulfonyl(methyl)amino]-5-(1,4-diazepan-1-yl)phenyl]-4-methylbenzenesulfonamide;dihydrochloride
CID 159809781
3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 28544416
N-[3-(difluoromethoxy)phenyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide;hydrochloride
CID 66744407
N-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 16836899

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxyphenyl)-4-piperazin-1-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-methoxyphenyl)-4-piperazin-1-ylbenzenesulfonamide;hydrochloride (CID 22272475) is 3-amino-N-(2-methoxyphenyl)-4-piperazin-1-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-methoxyphenyl)-4-piperazin-1-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-methoxyphenyl)-4-piperazin-1-ylbenzenesulfonamide;hydrochloride is COc1ccccc1NS(=O)(=O)c1ccc(N2CCNCC2)c(N)c1.Cl.
What is the InChIKey of 3-amino-N-(2-methoxyphenyl)-4-piperazin-1-ylbenzenesulfonamide;hydrochloride?
The InChIKey is PZKUVPMTEYIEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S.ClH/c1-24-17-5-3-2-4-15(17)20-25(22,23)13-6-7-16(14(18)12-13)21-10-8-19-9-11-21;/h2-7,12,19-20H,8-11,18H2,1H3;1H.
What are the key properties of 3-amino-N-(2-methoxyphenyl)-4-piperazin-1-ylbenzenesulfonamide;hydrochloride?
3-amino-N-(2-methoxyphenyl)-4-piperazin-1-ylbenzenesulfonamide;hydrochloride has a molecular weight of 398.92 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxyphenyl)-4-piperazin-1-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 22272475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).