4-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide

C15H13Cl3N2O3S — CID 39000948

IUPAC4-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13Cl3N2O3S/c1-20(2)15(21)11-5-3-9(16)7-13(11)19-24(22,23)14-8-10(17)4-6-12(14)18/h3-8,19H,1-2H3
InChIKeyBAFKYHVCLXKOLF-UHFFFAOYSA-N
MW407.71 g/mol
LogP4.15
Rot. Bonds4

About 4-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide

4-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide (PubChem CID 39000948) has the molecular formula C15H13Cl3N2O3S and a molecular weight of 407.71 g/mol. Its IUPAC name is 4-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide
PubChem CID39000948
Molecular FormulaC15H13Cl3N2O3S
Molecular Weight407.71 g/mol
Exact Mass405.97
IUPAC Name4-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13Cl3N2O3S/c1-20(2)15(21)11-5-3-9(16)7-13(11)19-24(22,23)14-8-10(17)4-6-12(14)18/h3-8,19H,1-2H3
InChIKeyBAFKYHVCLXKOLF-UHFFFAOYSA-N
XLogP4.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.71
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000902
4-chloro-2-[(2,4-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000972
4-chloro-2-[(3,4-dimethylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000922
2-[(2-bromo-4-methylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide
CID 39833794
4-chloro-N,N-dimethyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzamide
CID 55604034
2-[[5-chloro-2-(dimethylcarbamoyl)phenyl]sulfamoyl]acetic acid
CID 43697977
2-[(4-butan-2-ylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide
CID 43063617
methyl 5-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 122187079
4-[(2,5-dichlorophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 110676923
(Z)-3-[3-[[5-chloro-2-(dimethylcarbamoyl)phenyl]sulfamoyl]-4-methoxyphenyl]prop-2-enoic acid
CID 97455092
4-chloro-2-[(3-chloro-2-methylpropyl)sulfonylamino]-N,N-dimethylbenzamide
CID 79556557
4-chloro-N,N-dimethyl-2-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide
CID 55896087

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide (CID 39000948) is 4-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 4-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide?
The InChIKey is BAFKYHVCLXKOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N2O3S/c1-20(2)15(21)11-5-3-9(16)7-13(11)19-24(22,23)14-8-10(17)4-6-12(14)18/h3-8,19H,1-2H3.
What are the key properties of 4-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide?
4-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide has a molecular weight of 407.71 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 39000948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).