4-[4-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]piperazin-1-yl]benzenesulfonamide

C17H19ClN4O3S — CID 171370400

IUPAC4-[4-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]piperazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCN(/C(=N\O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C17H19ClN4O3S/c18-14-3-1-13(2-4-14)17(20-23)22-11-9-21(10-12-22)15-5-7-16(8-6-15)26(19,24)25/h1-8,23H,9-12H2,(H2,19,24,25)/b20-17-
InChIKeyWOCYSDBHUJLEPT-JZJYNLBNSA-N
MW394.88 g/mol
LogP1.95
Rot. Bonds3

About 4-[4-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]piperazin-1-yl]benzenesulfonamide

4-[4-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]piperazin-1-yl]benzenesulfonamide (PubChem CID 171370400) has the molecular formula C17H19ClN4O3S and a molecular weight of 394.88 g/mol. Its IUPAC name is 4-[4-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]piperazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]piperazin-1-yl]benzenesulfonamide
PubChem CID171370400
Molecular FormulaC17H19ClN4O3S
Molecular Weight394.88 g/mol
Exact Mass394.09
IUPAC Name4-[4-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]piperazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCN(/C(=N\O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C17H19ClN4O3S/c18-14-3-1-13(2-4-14)17(20-23)22-11-9-21(10-12-22)15-5-7-16(8-6-15)26(19,24)25/h1-8,23H,9-12H2,(H2,19,24,25)/b20-17-
InChIKeyWOCYSDBHUJLEPT-JZJYNLBNSA-N
XLogP1.95
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[4-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]piperazin-1-yl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]piperazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]piperazin-1-yl]benzenesulfonamide (CID 171370400) is 4-[4-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]piperazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]piperazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]piperazin-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2CCN(/C(=N\O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 4-[4-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]piperazin-1-yl]benzenesulfonamide?
The InChIKey is WOCYSDBHUJLEPT-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H19ClN4O3S/c18-14-3-1-13(2-4-14)17(20-23)22-11-9-21(10-12-22)15-5-7-16(8-6-15)26(19,24)25/h1-8,23H,9-12H2,(H2,19,24,25)/b20-17-.
What are the key properties of 4-[4-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]piperazin-1-yl]benzenesulfonamide?
4-[4-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]piperazin-1-yl]benzenesulfonamide has a molecular weight of 394.88 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 171370400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).