N-[(4-sulfamoylphenyl)carbamothioyl]benzamide

C14H13N3O3S2 — CID 780268

IUPACN-[(4-sulfamoylphenyl)carbamothioyl]benzamide
SMILESNS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C14H13N3O3S2/c15-22(19,20)12-8-6-11(7-9-12)16-14(21)17-13(18)10-4-2-1-3-5-10/h1-9H,(H2,15,19,20)(H2,16,17,18,21)
InChIKeyOFLIERYFTMBNIX-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.46
Rot. Bonds3

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

N-[(4-sulfamoylphenyl)carbamothioyl]benzamide (PubChem CID 780268) has the molecular formula C14H13N3O3S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(4-sulfamoylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(4-sulfamoylphenyl)carbamothioyl]benzamide
PubChem CID780268
Molecular FormulaC14H13N3O3S2
Molecular Weight335.41 g/mol
Exact Mass335.04
IUPAC NameN-[(4-sulfamoylphenyl)carbamothioyl]benzamide
SMILESNS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C14H13N3O3S2/c15-22(19,20)12-8-6-11(7-9-12)16-14(21)17-13(18)10-4-2-1-3-5-10/h1-9H,(H2,15,19,20)(H2,16,17,18,21)
InChIKeyOFLIERYFTMBNIX-UHFFFAOYSA-N
XLogP1.46
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.46
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

Sulfabenzamide
CID 5319
N'-Phenyl-N-benzoylthiourea
CID 728148
N-(4-Sulfamoyl-phenyl)-benzamide
CID 721954
N-[4-(Aminosulfonyl)phenyl]-2-mercaptobenzamide
CID 462919
2-phenyl-N-(4-sulfamoylphenyl)acetamide
CID 729977
N-(((4-Methylphenyl)amino)thioxomethyl)benzamide
CID 2787704
N-(((2-Methylphenyl)amino)thioxomethyl)benzamide
CID 693365
4-(3-(4-Acetylphenyl)ureido)benzenesulfonamide
CID 27870796
2,4-dichloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 1014382
4-nitro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 3476048
2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzamide
CID 4180608
4-(8-methyl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzenesulfonamide
CID 127025300

Frequently Asked Questions

What is the IUPAC name of N-[(4-sulfamoylphenyl)carbamothioyl]benzamide?
The IUPAC name of N-[(4-sulfamoylphenyl)carbamothioyl]benzamide (CID 780268) is N-[(4-sulfamoylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for N-[(4-sulfamoylphenyl)carbamothioyl]benzamide?
The canonical SMILES for N-[(4-sulfamoylphenyl)carbamothioyl]benzamide is NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(4-sulfamoylphenyl)carbamothioyl]benzamide?
The InChIKey is OFLIERYFTMBNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S2/c15-22(19,20)12-8-6-11(7-9-12)16-14(21)17-13(18)10-4-2-1-3-5-10/h1-9H,(H2,15,19,20)(H2,16,17,18,21).
What are the key properties of N-[(4-sulfamoylphenyl)carbamothioyl]benzamide?
N-[(4-sulfamoylphenyl)carbamothioyl]benzamide has a molecular weight of 335.41 g/mol, XLogP of 1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-sulfamoylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 780268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).