N-methyl-4-[(2,4,6-trichloroanilino)sulfamoyl]benzamide

C14H12Cl3N3O3S — CID 43033944

IUPACN-methyl-4-[(2,4,6-trichloroanilino)sulfamoyl]benzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H12Cl3N3O3S/c1-18-14(21)8-2-4-10(5-3-8)24(22,23)20-19-13-11(16)6-9(15)7-12(13)17/h2-7,19-20H,1H3,(H,18,21)
InChIKeySLRDFPXFRBRNBO-UHFFFAOYSA-N
MW408.69 g/mol
LogP3.31
Rot. Bonds5

About N-methyl-4-[(2,4,6-trichloroanilino)sulfamoyl]benzamide

N-methyl-4-[(2,4,6-trichloroanilino)sulfamoyl]benzamide (PubChem CID 43033944) has the molecular formula C14H12Cl3N3O3S and a molecular weight of 408.69 g/mol. Its IUPAC name is N-methyl-4-[(2,4,6-trichloroanilino)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(2,4,6-trichloroanilino)sulfamoyl]benzamide
PubChem CID43033944
Molecular FormulaC14H12Cl3N3O3S
Molecular Weight408.69 g/mol
Exact Mass406.97
IUPAC NameN-methyl-4-[(2,4,6-trichloroanilino)sulfamoyl]benzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H12Cl3N3O3S/c1-18-14(21)8-2-4-10(5-3-8)24(22,23)20-19-13-11(16)6-9(15)7-12(13)17/h2-7,19-20H,1H3,(H,18,21)
InChIKeySLRDFPXFRBRNBO-UHFFFAOYSA-N
XLogP3.31
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.69
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-nitro-N'-(2,4,6-trichlorophenyl)benzenesulfonohydrazide
CID 42993401
3-[(2,4,6-trichloroanilino)sulfamoyl]benzenesulfonamide
CID 31064906
N'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 932051
4-(methoxymethyl)-N'-(2,4,6-trichlorophenyl)benzohydrazide
CID 30859143
4-[(2,4,6-trichloroanilino)carbamoyl]benzamide
CID 30859138
4-chloro-N-methyl-3-(methylsulfamoyl)benzamide
CID 19394
N'-(3,5-dichlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 8616766
N-tert-butyl-2-chloro-5-[(2,4,6-trichloroanilino)carbamoyl]benzenesulfonamide
CID 30255802
4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide
CID 90126567
4-[(3,4-difluorophenyl)sulfonylamino]-N-methylbenzamide
CID 25335198
N-(3-chlorophenyl)-4-(methylsulfamoyl)benzamide
CID 34742954
N'-(3,4-dichlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 8616698

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2,4,6-trichloroanilino)sulfamoyl]benzamide?
The IUPAC name of N-methyl-4-[(2,4,6-trichloroanilino)sulfamoyl]benzamide (CID 43033944) is N-methyl-4-[(2,4,6-trichloroanilino)sulfamoyl]benzamide.
What is the SMILES notation for N-methyl-4-[(2,4,6-trichloroanilino)sulfamoyl]benzamide?
The canonical SMILES for N-methyl-4-[(2,4,6-trichloroanilino)sulfamoyl]benzamide is CNC(=O)c1ccc(S(=O)(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1.
What is the InChIKey of N-methyl-4-[(2,4,6-trichloroanilino)sulfamoyl]benzamide?
The InChIKey is SLRDFPXFRBRNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3N3O3S/c1-18-14(21)8-2-4-10(5-3-8)24(22,23)20-19-13-11(16)6-9(15)7-12(13)17/h2-7,19-20H,1H3,(H,18,21).
What are the key properties of N-methyl-4-[(2,4,6-trichloroanilino)sulfamoyl]benzamide?
N-methyl-4-[(2,4,6-trichloroanilino)sulfamoyl]benzamide has a molecular weight of 408.69 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2,4,6-trichloroanilino)sulfamoyl]benzamide is sourced from PubChem (CID 43033944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).