1-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea

C19H22Cl2N4O3S2 — CID 4854212

IUPAC1-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea
SMILESO=S(=O)(Nc1ccccc1Cl)c1cc(NC(=S)NCCN2CCOCC2)ccc1Cl
InChIInChI=1S/C19H22Cl2N4O3S2/c20-15-3-1-2-4-17(15)24-30(26,27)18-13-14(5-6-16(18)21)23-19(29)22-7-8-25-9-11-28-12-10-25/h1-6,13,24H,7-12H2,(H2,22,23,29)
InChIKeyGYGOLFZWGYVOBM-UHFFFAOYSA-N
MW489.45 g/mol
LogP3.41
Rot. Bonds7

About 1-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea

1-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea (PubChem CID 4854212) has the molecular formula C19H22Cl2N4O3S2 and a molecular weight of 489.45 g/mol. Its IUPAC name is 1-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea.

Molecular Properties

Compound Name1-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea
PubChem CID4854212
Molecular FormulaC19H22Cl2N4O3S2
Molecular Weight489.45 g/mol
Exact Mass488.05
IUPAC Name1-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea
SMILESO=S(=O)(Nc1ccccc1Cl)c1cc(NC(=S)NCCN2CCOCC2)ccc1Cl
InChIInChI=1S/C19H22Cl2N4O3S2/c20-15-3-1-2-4-17(15)24-30(26,27)18-13-14(5-6-16(18)21)23-19(29)22-7-8-25-9-11-28-12-10-25/h1-6,13,24H,7-12H2,(H2,22,23,29)
InChIKeyGYGOLFZWGYVOBM-UHFFFAOYSA-N
XLogP3.41
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.45
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea 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 1-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea?
The IUPAC name of 1-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea (CID 4854212) is 1-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea.
What is the SMILES notation for 1-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea?
The canonical SMILES for 1-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea is O=S(=O)(Nc1ccccc1Cl)c1cc(NC(=S)NCCN2CCOCC2)ccc1Cl.
What is the InChIKey of 1-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea?
The InChIKey is GYGOLFZWGYVOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4O3S2/c20-15-3-1-2-4-17(15)24-30(26,27)18-13-14(5-6-16(18)21)23-19(29)22-7-8-25-9-11-28-12-10-25/h1-6,13,24H,7-12H2,(H2,22,23,29).
What are the key properties of 1-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea?
1-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea has a molecular weight of 489.45 g/mol, XLogP of 3.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea is sourced from PubChem (CID 4854212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).