1-(4-chlorophenyl)-3-[(4-sulfamoylphenyl)carbamothioyl]urea

C14H13ClN4O3S2 — CID 122179662

IUPAC1-(4-chlorophenyl)-3-[(4-sulfamoylphenyl)carbamothioyl]urea
SMILESNS(=O)(=O)c1ccc(NC(=S)NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H13ClN4O3S2/c15-9-1-3-10(4-2-9)17-13(20)19-14(23)18-11-5-7-12(8-6-11)24(16,21)22/h1-8H,(H2,16,21,22)(H3,17,18,19,20,23)
InChIKeyBOMPSBOBJSGLAG-UHFFFAOYSA-N
MW384.87 g/mol
LogP2.51
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[(4-sulfamoylphenyl)carbamothioyl]urea

1-(4-chlorophenyl)-3-[(4-sulfamoylphenyl)carbamothioyl]urea (PubChem CID 122179662) has the molecular formula C14H13ClN4O3S2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(4-sulfamoylphenyl)carbamothioyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(4-sulfamoylphenyl)carbamothioyl]urea
PubChem CID122179662
Molecular FormulaC14H13ClN4O3S2
Molecular Weight384.87 g/mol
Exact Mass384.01
IUPAC Name1-(4-chlorophenyl)-3-[(4-sulfamoylphenyl)carbamothioyl]urea
SMILESNS(=O)(=O)c1ccc(NC(=S)NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H13ClN4O3S2/c15-9-1-3-10(4-2-9)17-13(20)19-14(23)18-11-5-7-12(8-6-11)24(16,21)22/h1-8H,(H2,16,21,22)(H3,17,18,19,20,23)
InChIKeyBOMPSBOBJSGLAG-UHFFFAOYSA-N
XLogP2.51
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(Anilinocarbonyl)amino]benzenesulfonamide
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AI-204/31750036
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1-(4-Aminophenyl)-3-(4-sulfamoylphenyl)urea
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N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 720082
1-[(4-Chlorophenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea
CID 118710600
1-(4-Chlorophenyl)-3-(3-sulfamoylphenyl)urea
CID 4157467
1-(3-Chlorophenyl)-3-(4-sulfamoylphenyl)urea
CID 307505
4-[(aminocarbonyl)amino]-N-[4-(aminosulfonyl)phenyl]benzenesulfonamide
CID 397555
4-{[(4-Chloro-2-fluorophenyl)carbamoyl]amino}benzenesulfonamide
CID 17250082
1-(3-Chloro-4-fluorophenyl)-3-(4-sulfamoylphenyl)urea
CID 27870091
1-(4-Chlorophenyl)-3-(4-(methylsulfonyl)phenyl)urea
CID 44447101
N-(4-chlorophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53371960

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(4-sulfamoylphenyl)carbamothioyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(4-sulfamoylphenyl)carbamothioyl]urea (CID 122179662) is 1-(4-chlorophenyl)-3-[(4-sulfamoylphenyl)carbamothioyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(4-sulfamoylphenyl)carbamothioyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(4-sulfamoylphenyl)carbamothioyl]urea is NS(=O)(=O)c1ccc(NC(=S)NC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(4-sulfamoylphenyl)carbamothioyl]urea?
The InChIKey is BOMPSBOBJSGLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O3S2/c15-9-1-3-10(4-2-9)17-13(20)19-14(23)18-11-5-7-12(8-6-11)24(16,21)22/h1-8H,(H2,16,21,22)(H3,17,18,19,20,23).
What are the key properties of 1-(4-chlorophenyl)-3-[(4-sulfamoylphenyl)carbamothioyl]urea?
1-(4-chlorophenyl)-3-[(4-sulfamoylphenyl)carbamothioyl]urea has a molecular weight of 384.87 g/mol, XLogP of 2.51, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(4-sulfamoylphenyl)carbamothioyl]urea is sourced from PubChem (CID 122179662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).