N-ethyl-3-[(2,4,6-trichloroanilino)carbamoyl]benzenesulfonamide

C15H14Cl3N3O3S — CID 26591384

IUPACN-ethyl-3-[(2,4,6-trichloroanilino)carbamoyl]benzenesulfonamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C15H14Cl3N3O3S/c1-2-19-25(23,24)11-5-3-4-9(6-11)15(22)21-20-14-12(17)7-10(16)8-13(14)18/h3-8,19-20H,2H2,1H3,(H,21,22)
InChIKeyIURMPIKUSGADRO-UHFFFAOYSA-N
MW422.72 g/mol
LogP3.70
Rot. Bonds6

About N-ethyl-3-[(2,4,6-trichloroanilino)carbamoyl]benzenesulfonamide

N-ethyl-3-[(2,4,6-trichloroanilino)carbamoyl]benzenesulfonamide (PubChem CID 26591384) has the molecular formula C15H14Cl3N3O3S and a molecular weight of 422.72 g/mol. Its IUPAC name is N-ethyl-3-[(2,4,6-trichloroanilino)carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-3-[(2,4,6-trichloroanilino)carbamoyl]benzenesulfonamide
PubChem CID26591384
Molecular FormulaC15H14Cl3N3O3S
Molecular Weight422.72 g/mol
Exact Mass420.98
IUPAC NameN-ethyl-3-[(2,4,6-trichloroanilino)carbamoyl]benzenesulfonamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C15H14Cl3N3O3S/c1-2-19-25(23,24)11-5-3-4-9(6-11)15(22)21-20-14-12(17)7-10(16)8-13(14)18/h3-8,19-20H,2H2,1H3,(H,21,22)
InChIKeyIURMPIKUSGADRO-UHFFFAOYSA-N
XLogP3.70
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.72
LogP ≤ 53.70
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

N-(2-chlorophenyl)-3-(ethylsulfamoyl)benzamide
CID 26574954
3-methoxy-N'-(2,4,6-trichlorophenyl)benzohydrazide
CID 794857
methyl 2-[[3-(ethylsulfamoyl)benzoyl]amino]-2-methylpropanoate
CID 43074354
N-(5-chloro-2-methoxyphenyl)-3-(ethylsulfamoyl)benzamide
CID 26582371
3-(ethylsulfamoyl)-N-hexylbenzamide
CID 46538065
N-(benzhydrylideneamino)-3-(ethylsulfamoyl)benzamide
CID 134057652
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(ethylsulfamoyl)benzamide
CID 55967220
N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-(ethylsulfamoyl)benzamide
CID 86949396
3-(ethylsulfamoyl)-N-(3-iodophenyl)benzamide
CID 31528390
N-tert-butyl-2-chloro-5-[(2,4,6-trichloroanilino)carbamoyl]benzenesulfonamide
CID 30255802
2,2-dimethyl-N-[3-[(2,4,6-trichloroanilino)carbamoyl]phenyl]propanamide
CID 35185117
4-(methoxymethyl)-N'-(2,4,6-trichlorophenyl)benzohydrazide
CID 30859143

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(2,4,6-trichloroanilino)carbamoyl]benzenesulfonamide?
The IUPAC name of N-ethyl-3-[(2,4,6-trichloroanilino)carbamoyl]benzenesulfonamide (CID 26591384) is N-ethyl-3-[(2,4,6-trichloroanilino)carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-3-[(2,4,6-trichloroanilino)carbamoyl]benzenesulfonamide?
The canonical SMILES for N-ethyl-3-[(2,4,6-trichloroanilino)carbamoyl]benzenesulfonamide is CCNS(=O)(=O)c1cccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1.
What is the InChIKey of N-ethyl-3-[(2,4,6-trichloroanilino)carbamoyl]benzenesulfonamide?
The InChIKey is IURMPIKUSGADRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3N3O3S/c1-2-19-25(23,24)11-5-3-4-9(6-11)15(22)21-20-14-12(17)7-10(16)8-13(14)18/h3-8,19-20H,2H2,1H3,(H,21,22).
What are the key properties of N-ethyl-3-[(2,4,6-trichloroanilino)carbamoyl]benzenesulfonamide?
N-ethyl-3-[(2,4,6-trichloroanilino)carbamoyl]benzenesulfonamide has a molecular weight of 422.72 g/mol, XLogP of 3.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(2,4,6-trichloroanilino)carbamoyl]benzenesulfonamide is sourced from PubChem (CID 26591384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).