2,4-dichloro-N-[(3-sulfamoylphenyl)carbamothioyl]benzamide

C14H11Cl2N3O3S2 — CID 71498311

IUPAC2,4-dichloro-N-[(3-sulfamoylphenyl)carbamothioyl]benzamide
SMILESNS(=O)(=O)c1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H11Cl2N3O3S2/c15-8-4-5-11(12(16)6-8)13(20)19-14(23)18-9-2-1-3-10(7-9)24(17,21)22/h1-7H,(H2,17,21,22)(H2,18,19,20,23)
InChIKeyZJQFBQHCTDDCKX-UHFFFAOYSA-N
MW404.30 g/mol
LogP2.77
Rot. Bonds3

About 2,4-dichloro-N-[(3-sulfamoylphenyl)carbamothioyl]benzamide

2,4-dichloro-N-[(3-sulfamoylphenyl)carbamothioyl]benzamide (PubChem CID 71498311) has the molecular formula C14H11Cl2N3O3S2 and a molecular weight of 404.30 g/mol. Its IUPAC name is 2,4-dichloro-N-[(3-sulfamoylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(3-sulfamoylphenyl)carbamothioyl]benzamide
PubChem CID71498311
Molecular FormulaC14H11Cl2N3O3S2
Molecular Weight404.30 g/mol
Exact Mass402.96
IUPAC Name2,4-dichloro-N-[(3-sulfamoylphenyl)carbamothioyl]benzamide
SMILESNS(=O)(=O)c1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H11Cl2N3O3S2/c15-8-4-5-11(12(16)6-8)13(20)19-14(23)18-9-2-1-3-10(7-9)24(17,21)22/h1-7H,(H2,17,21,22)(H2,18,19,20,23)
InChIKeyZJQFBQHCTDDCKX-UHFFFAOYSA-N
XLogP2.77
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 52.77
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

2,4-dichloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 1014382
2,4-dichloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 5157334
3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzenesulfonamide
CID 137649870
N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 780268
4-chloro-N-(3-sulfamoylphenyl)benzamide
CID 3564294
4-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 4627354
2,4-dichloro-N-[4-(dimethylamino)phenyl]sulfonylbenzamide
CID 11211004
N-[(3-sulfamoylphenyl)carbamothioyl]benzamide
CID 71498762
2,6-dichloro-N-(4-sulfamoylphenyl)benzamide
CID 798705
N-(4-chlorobenzoyl)-N'-[4-(piperidin-1-ylsulfonyl)phenyl]thiourea
CID 1014413
2-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 1300832
2,4-dichloro-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide
CID 1341630

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(3-sulfamoylphenyl)carbamothioyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(3-sulfamoylphenyl)carbamothioyl]benzamide (CID 71498311) is 2,4-dichloro-N-[(3-sulfamoylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(3-sulfamoylphenyl)carbamothioyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(3-sulfamoylphenyl)carbamothioyl]benzamide is NS(=O)(=O)c1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[(3-sulfamoylphenyl)carbamothioyl]benzamide?
The InChIKey is ZJQFBQHCTDDCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O3S2/c15-8-4-5-11(12(16)6-8)13(20)19-14(23)18-9-2-1-3-10(7-9)24(17,21)22/h1-7H,(H2,17,21,22)(H2,18,19,20,23).
What are the key properties of 2,4-dichloro-N-[(3-sulfamoylphenyl)carbamothioyl]benzamide?
2,4-dichloro-N-[(3-sulfamoylphenyl)carbamothioyl]benzamide has a molecular weight of 404.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(3-sulfamoylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 71498311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).