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

C14H12ClN3O3S2 — CID 1300832

IUPAC2-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
SMILESNS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C14H12ClN3O3S2/c15-12-4-2-1-3-11(12)13(19)18-14(22)17-9-5-7-10(8-6-9)23(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19,22)
InChIKeyBDYPMZDGMHOFCC-UHFFFAOYSA-N
MW369.86 g/mol
LogP2.11
Rot. Bonds3

About 2-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide

2-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide (PubChem CID 1300832) has the molecular formula C14H12ClN3O3S2 and a molecular weight of 369.86 g/mol. Its IUPAC name is 2-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
PubChem CID1300832
Molecular FormulaC14H12ClN3O3S2
Molecular Weight369.86 g/mol
Exact Mass369.00
IUPAC Name2-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
SMILESNS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C14H12ClN3O3S2/c15-12-4-2-1-3-11(12)13(19)18-14(22)17-9-5-7-10(8-6-9)23(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19,22)
InChIKeyBDYPMZDGMHOFCC-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

N-(((2-Chlorophenyl)amino)thioxomethyl)benzamide
CID 692093
N-(((4-Chlorophenyl)amino)thioxomethyl)benzamide
CID 701011
2,4-dichloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 1014382
N-[(3-chloro-2-methylphenyl)carbamothioyl]benzamide
CID 708499
N-(((3-Chlorophenyl)amino)thioxomethyl)benzamide
CID 909200
2,4-dichloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 5157334
4-(8-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzenesulfonamide
CID 127040227
3-chloro-N-(4-sulfamoylphenyl)benzamide
CID 2455664
N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 780268
3-methyl-N-[(4 sulfamoylphenyl)carbamothioyl]benzamide
CID 905210
4-{[(benzoylamino)carbothioyl]amino}-N-methyl-N-phenylbenzenesulfonamide
CID 1226740
4-chloro-N-(3-sulfamoylphenyl)benzamide
CID 3564294

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide?
The IUPAC name of 2-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide (CID 1300832) is 2-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide?
The canonical SMILES for 2-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide is NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide?
The InChIKey is BDYPMZDGMHOFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3S2/c15-12-4-2-1-3-11(12)13(19)18-14(22)17-9-5-7-10(8-6-9)23(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19,22).
What are the key properties of 2-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide?
2-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 2-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 1300832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).