3-[2-[[3-(2,4-dichlorophenyl)phenyl]sulfonylamino]-2-(1,3-thiazol-2-yl)ethyl]-N'-hydroxybenzenecarboximidamide

C24H20Cl2N4O3S2 — CID 168874712

IUPAC3-[2-[[3-(2,4-dichlorophenyl)phenyl]sulfonylamino]-2-(1,3-thiazol-2-yl)ethyl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cccc(CC(NS(=O)(=O)c2cccc(-c3ccc(Cl)cc3Cl)c2)c2nccs2)c1
InChIInChI=1S/C24H20Cl2N4O3S2/c25-18-7-8-20(21(26)14-18)16-4-2-6-19(13-16)35(32,33)30-22(24-28-9-10-34-24)12-15-3-1-5-17(11-15)23(27)29-31/h1-11,13-14,22,30-31H,12H2,(H2,27,29)
InChIKeyHVDTZWZPCCKZTC-UHFFFAOYSA-N
MW547.49 g/mol
LogP5.47
Rot. Bonds8

About 3-[2-[[3-(2,4-dichlorophenyl)phenyl]sulfonylamino]-2-(1,3-thiazol-2-yl)ethyl]-N'-hydroxybenzenecarboximidamide

3-[2-[[3-(2,4-dichlorophenyl)phenyl]sulfonylamino]-2-(1,3-thiazol-2-yl)ethyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 168874712) has the molecular formula C24H20Cl2N4O3S2 and a molecular weight of 547.49 g/mol. Its IUPAC name is 3-[2-[[3-(2,4-dichlorophenyl)phenyl]sulfonylamino]-2-(1,3-thiazol-2-yl)ethyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[2-[[3-(2,4-dichlorophenyl)phenyl]sulfonylamino]-2-(1,3-thiazol-2-yl)ethyl]-N'-hydroxybenzenecarboximidamide
PubChem CID168874712
Molecular FormulaC24H20Cl2N4O3S2
Molecular Weight547.49 g/mol
Exact Mass546.04
IUPAC Name3-[2-[[3-(2,4-dichlorophenyl)phenyl]sulfonylamino]-2-(1,3-thiazol-2-yl)ethyl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cccc(CC(NS(=O)(=O)c2cccc(-c3ccc(Cl)cc3Cl)c2)c2nccs2)c1
InChIInChI=1S/C24H20Cl2N4O3S2/c25-18-7-8-20(21(26)14-18)16-4-2-6-19(13-16)35(32,33)30-22(24-28-9-10-34-24)12-15-3-1-5-17(11-15)23(27)29-31/h1-11,13-14,22,30-31H,12H2,(H2,27,29)
InChIKeyHVDTZWZPCCKZTC-UHFFFAOYSA-N
XLogP5.47
TPSA117.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.49
LogP ≤ 55.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 3-[2-[[3-(2,4-dichlorophenyl)phenyl]sulfonylamino]-2-(1,3-thiazol-2-yl)ethyl]-N'-hydroxybenzenecarboximidamide 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 3-[2-[[3-(2,4-dichlorophenyl)phenyl]sulfonylamino]-2-(1,3-thiazol-2-yl)ethyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-[2-[[3-(2,4-dichlorophenyl)phenyl]sulfonylamino]-2-(1,3-thiazol-2-yl)ethyl]-N'-hydroxybenzenecarboximidamide (CID 168874712) is 3-[2-[[3-(2,4-dichlorophenyl)phenyl]sulfonylamino]-2-(1,3-thiazol-2-yl)ethyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-[2-[[3-(2,4-dichlorophenyl)phenyl]sulfonylamino]-2-(1,3-thiazol-2-yl)ethyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-[2-[[3-(2,4-dichlorophenyl)phenyl]sulfonylamino]-2-(1,3-thiazol-2-yl)ethyl]-N'-hydroxybenzenecarboximidamide is NC(=NO)c1cccc(CC(NS(=O)(=O)c2cccc(-c3ccc(Cl)cc3Cl)c2)c2nccs2)c1.
What is the InChIKey of 3-[2-[[3-(2,4-dichlorophenyl)phenyl]sulfonylamino]-2-(1,3-thiazol-2-yl)ethyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is HVDTZWZPCCKZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O3S2/c25-18-7-8-20(21(26)14-18)16-4-2-6-19(13-16)35(32,33)30-22(24-28-9-10-34-24)12-15-3-1-5-17(11-15)23(27)29-31/h1-11,13-14,22,30-31H,12H2,(H2,27,29).
What are the key properties of 3-[2-[[3-(2,4-dichlorophenyl)phenyl]sulfonylamino]-2-(1,3-thiazol-2-yl)ethyl]-N'-hydroxybenzenecarboximidamide?
3-[2-[[3-(2,4-dichlorophenyl)phenyl]sulfonylamino]-2-(1,3-thiazol-2-yl)ethyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 547.49 g/mol, XLogP of 5.47, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[3-(2,4-dichlorophenyl)phenyl]sulfonylamino]-2-(1,3-thiazol-2-yl)ethyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 168874712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).