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

C15H13Cl2FN2O3S — CID 39000902

IUPAC4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C15H13Cl2FN2O3S/c1-20(2)15(21)11-5-3-10(17)8-13(11)19-24(22,23)14-6-4-9(16)7-12(14)18/h3-8,19H,1-2H3
InChIKeyMAGIHPDNFYQRSW-UHFFFAOYSA-N
MW391.25 g/mol
LogP3.64
Rot. Bonds4

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

4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide (PubChem CID 39000902) has the molecular formula C15H13Cl2FN2O3S and a molecular weight of 391.25 g/mol. Its IUPAC name is 4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
PubChem CID39000902
Molecular FormulaC15H13Cl2FN2O3S
Molecular Weight391.25 g/mol
Exact Mass390.00
IUPAC Name4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C15H13Cl2FN2O3S/c1-20(2)15(21)11-5-3-10(17)8-13(11)19-24(22,23)14-6-4-9(16)7-12(14)18/h3-8,19H,1-2H3
InChIKeyMAGIHPDNFYQRSW-UHFFFAOYSA-N
XLogP3.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(2,4-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000972
4-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000948
2-[(2-bromo-4-methylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide
CID 39833794
4-chloro-2-[(3,4-dimethylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000922
3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfonyl-N,N-dimethylpropanamide
CID 67972115
2-[[5-chloro-2-(dimethylcarbamoyl)phenyl]sulfamoyl]acetic acid
CID 43697977
4-chloro-N,N-dimethyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzamide
CID 55604034
2-[(4-butan-2-ylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide
CID 43063617
3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfinyl-N,N-dimethylpropanamide
CID 67972409
2-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide
CID 4793321
(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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide (CID 39000902) is 4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide?
The InChIKey is MAGIHPDNFYQRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O3S/c1-20(2)15(21)11-5-3-10(17)8-13(11)19-24(22,23)14-6-4-9(16)7-12(14)18/h3-8,19H,1-2H3.
What are the key properties of 4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide?
4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide has a molecular weight of 391.25 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 39000902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).