1-(3,4-dichlorophenyl)-3-[(4-sulfamoylbenzoyl)amino]urea

C14H12Cl2N4O4S — CID 11177131

IUPAC1-(3,4-dichlorophenyl)-3-[(4-sulfamoylbenzoyl)amino]urea
SMILESNS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H12Cl2N4O4S/c15-11-6-3-9(7-12(11)16)18-14(22)20-19-13(21)8-1-4-10(5-2-8)25(17,23)24/h1-7H,(H,19,21)(H2,17,23,24)(H2,18,20,22)
InChIKeyFIHDPHXTPMLGSV-UHFFFAOYSA-N
MW403.25 g/mol
LogP2.11
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-3-[(4-sulfamoylbenzoyl)amino]urea

1-(3,4-dichlorophenyl)-3-[(4-sulfamoylbenzoyl)amino]urea (PubChem CID 11177131) has the molecular formula C14H12Cl2N4O4S and a molecular weight of 403.25 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[(4-sulfamoylbenzoyl)amino]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[(4-sulfamoylbenzoyl)amino]urea
PubChem CID11177131
Molecular FormulaC14H12Cl2N4O4S
Molecular Weight403.25 g/mol
Exact Mass402.00
IUPAC Name1-(3,4-dichlorophenyl)-3-[(4-sulfamoylbenzoyl)amino]urea
SMILESNS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H12Cl2N4O4S/c15-11-6-3-9(7-12(11)16)18-14(22)20-19-13(21)8-1-4-10(5-2-8)25(17,23)24/h1-7H,(H,19,21)(H2,17,23,24)(H2,18,20,22)
InChIKeyFIHDPHXTPMLGSV-UHFFFAOYSA-N
XLogP2.11
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.25
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[(4-sulfamoylbenzoyl)amino]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[(4-sulfamoylbenzoyl)amino]urea (CID 11177131) is 1-(3,4-dichlorophenyl)-3-[(4-sulfamoylbenzoyl)amino]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[(4-sulfamoylbenzoyl)amino]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[(4-sulfamoylbenzoyl)amino]urea is NS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[(4-sulfamoylbenzoyl)amino]urea?
The InChIKey is FIHDPHXTPMLGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O4S/c15-11-6-3-9(7-12(11)16)18-14(22)20-19-13(21)8-1-4-10(5-2-8)25(17,23)24/h1-7H,(H,19,21)(H2,17,23,24)(H2,18,20,22).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[(4-sulfamoylbenzoyl)amino]urea?
1-(3,4-dichlorophenyl)-3-[(4-sulfamoylbenzoyl)amino]urea has a molecular weight of 403.25 g/mol, XLogP of 2.11, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[(4-sulfamoylbenzoyl)amino]urea is sourced from PubChem (CID 11177131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).