4-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide

C14H12ClN3O3S2 — CID 4627354

IUPAC4-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
SMILESNS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H12ClN3O3S2/c15-10-3-1-9(2-4-10)13(19)18-14(22)17-11-5-7-12(8-6-11)23(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19,22)
InChIKeyPGMCAQXJGRLJTN-UHFFFAOYSA-N
MW369.86 g/mol
LogP2.11
Rot. Bonds3

About 4-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide

4-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide (PubChem CID 4627354) has the molecular formula C14H12ClN3O3S2 and a molecular weight of 369.86 g/mol. Its IUPAC name is 4-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
PubChem CID4627354
Molecular FormulaC14H12ClN3O3S2
Molecular Weight369.86 g/mol
Exact Mass369.00
IUPAC Name4-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
SMILESNS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H12ClN3O3S2/c15-10-3-1-9(2-4-10)13(19)18-14(22)17-11-5-7-12(8-6-11)23(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19,22)
InChIKeyPGMCAQXJGRLJTN-UHFFFAOYSA-N
XLogP2.11
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 17100484
4-chloro-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 4932898
3,4-dimethoxy-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 3384811
4-propoxy-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 4938795
N-[(4-chlorophenyl)carbamothioyl]-4-nitrobenzamide
CID 702118
4-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide
CID 1011353
4-tert-butyl-N-[[4-[(4-chlorobenzoyl)amino]phenyl]carbamothioyl]benzamide
CID 174979298
1-[2-(4-chlorophenyl)ethyl]-3-(4-sulfamoylphenyl)thiourea
CID 1213468
N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-4-methylbenzamide
CID 1209279
4-[(4-chlorobenzoyl)carbamothioylamino]-N,N-diethylbenzamide
CID 17197077
N-[(4-chlorophenyl)carbamothioyl]-3,5-dimethylbenzamide
CID 918716
4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide?
The IUPAC name of 4-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide (CID 4627354) is 4-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide?
The canonical SMILES for 4-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide is NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide?
The InChIKey is PGMCAQXJGRLJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3S2/c15-10-3-1-9(2-4-10)13(19)18-14(22)17-11-5-7-12(8-6-11)23(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19,22).
What are the key properties of 4-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide?
4-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide has a molecular weight of 369.86 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 4627354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).