3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide

C15H14ClFN2O3S — CID 24629266

IUPAC3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H14ClFN2O3S/c1-19(2)15(20)10-4-3-5-11(8-10)18-23(21,22)12-6-7-14(17)13(16)9-12/h3-9,18H,1-2H3
InChIKeyGFSKIBGTRFHCKW-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.98
Rot. Bonds4

About 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide

3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide (PubChem CID 24629266) has the molecular formula C15H14ClFN2O3S and a molecular weight of 356.81 g/mol. Its IUPAC name is 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
PubChem CID24629266
Molecular FormulaC15H14ClFN2O3S
Molecular Weight356.81 g/mol
Exact Mass356.04
IUPAC Name3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H14ClFN2O3S/c1-19(2)15(20)10-4-3-5-11(8-10)18-23(21,22)12-6-7-14(17)13(16)9-12/h3-9,18H,1-2H3
InChIKeyGFSKIBGTRFHCKW-UHFFFAOYSA-N
XLogP2.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[3-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 24629326
3-[(4-ethylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629312
N-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 109065518
N,N-dimethyl-3-[(4-nitrophenyl)sulfonylamino]benzamide
CID 24629243
3-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629283
3-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 5089325
3-[(2-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629332
N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3702970
3-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4-fluorobenzenesulfonamide
CID 8603687
3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid
CID 2234493
3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062198
4-[(4-chlorophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 7971137

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide (CID 24629266) is 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide?
The InChIKey is GFSKIBGTRFHCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O3S/c1-19(2)15(20)10-4-3-5-11(8-10)18-23(21,22)12-6-7-14(17)13(16)9-12/h3-9,18H,1-2H3.
What are the key properties of 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide?
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide has a molecular weight of 356.81 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 24629266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).