1-phenyl-3-[4-(phenylsulfamoyl)phenyl]thiourea

C19H17N3O2S2 — CID 3421033

IUPAC1-phenyl-3-[4-(phenylsulfamoyl)phenyl]thiourea
SMILESO=S(=O)(Nc1ccccc1)c1ccc(NC(=S)Nc2ccccc2)cc1
InChIInChI=1S/C19H17N3O2S2/c23-26(24,22-17-9-5-2-6-10-17)18-13-11-16(12-14-18)21-19(25)20-15-7-3-1-4-8-15/h1-14,22H,(H2,20,21,25)
InChIKeyHNDRSTUKPCLQLT-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.30
Rot. Bonds5

About 1-phenyl-3-[4-(phenylsulfamoyl)phenyl]thiourea

1-phenyl-3-[4-(phenylsulfamoyl)phenyl]thiourea (PubChem CID 3421033) has the molecular formula C19H17N3O2S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 1-phenyl-3-[4-(phenylsulfamoyl)phenyl]thiourea.

Molecular Properties

Compound Name1-phenyl-3-[4-(phenylsulfamoyl)phenyl]thiourea
PubChem CID3421033
Molecular FormulaC19H17N3O2S2
Molecular Weight383.50 g/mol
Exact Mass383.08
IUPAC Name1-phenyl-3-[4-(phenylsulfamoyl)phenyl]thiourea
SMILESO=S(=O)(Nc1ccccc1)c1ccc(NC(=S)Nc2ccccc2)cc1
InChIInChI=1S/C19H17N3O2S2/c23-26(24,22-17-9-5-2-6-10-17)18-13-11-16(12-14-18)21-19(25)20-15-7-3-1-4-8-15/h1-14,22H,(H2,20,21,25)
InChIKeyHNDRSTUKPCLQLT-UHFFFAOYSA-N
XLogP4.30
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[4-(phenylsulfamoyl)phenyl]thiourea?
The IUPAC name of 1-phenyl-3-[4-(phenylsulfamoyl)phenyl]thiourea (CID 3421033) is 1-phenyl-3-[4-(phenylsulfamoyl)phenyl]thiourea.
What is the SMILES notation for 1-phenyl-3-[4-(phenylsulfamoyl)phenyl]thiourea?
The canonical SMILES for 1-phenyl-3-[4-(phenylsulfamoyl)phenyl]thiourea is O=S(=O)(Nc1ccccc1)c1ccc(NC(=S)Nc2ccccc2)cc1.
What is the InChIKey of 1-phenyl-3-[4-(phenylsulfamoyl)phenyl]thiourea?
The InChIKey is HNDRSTUKPCLQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S2/c23-26(24,22-17-9-5-2-6-10-17)18-13-11-16(12-14-18)21-19(25)20-15-7-3-1-4-8-15/h1-14,22H,(H2,20,21,25).
What are the key properties of 1-phenyl-3-[4-(phenylsulfamoyl)phenyl]thiourea?
1-phenyl-3-[4-(phenylsulfamoyl)phenyl]thiourea has a molecular weight of 383.50 g/mol, XLogP of 4.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[4-(phenylsulfamoyl)phenyl]thiourea is sourced from PubChem (CID 3421033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).