4-[(3,5-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide

C15H14F2N2O3S — CID 24580816

IUPAC4-[(3,5-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C15H14F2N2O3S/c1-19(2)15(20)10-3-5-13(6-4-10)18-23(21,22)14-8-11(16)7-12(17)9-14/h3-9,18H,1-2H3
InChIKeyXGZMLMKCWLONAN-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.47
Rot. Bonds4

About 4-[(3,5-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide

4-[(3,5-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide (PubChem CID 24580816) has the molecular formula C15H14F2N2O3S and a molecular weight of 340.35 g/mol. Its IUPAC name is 4-[(3,5-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(3,5-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
PubChem CID24580816
Molecular FormulaC15H14F2N2O3S
Molecular Weight340.35 g/mol
Exact Mass340.07
IUPAC Name4-[(3,5-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C15H14F2N2O3S/c1-19(2)15(20)10-3-5-13(6-4-10)18-23(21,22)14-8-11(16)7-12(17)9-14/h3-9,18H,1-2H3
InChIKeyXGZMLMKCWLONAN-UHFFFAOYSA-N
XLogP2.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-3,5-difluorobenzenesulfonamide
CID 51170160
4-[(3,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24580843
4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoic acid
CID 24580861
4-[(4-chlorophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 7971137
N-tert-butyl-4-[(3,5-difluorophenyl)sulfonylamino]benzamide
CID 24663107
4-[(2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24580823
3,5-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43604154
4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N-dimethylbenzamide
CID 24580864
N,N-dimethyl-4-(sulfamoylamino)benzamide
CID 112573421
N,N-dimethyl-4-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzamide
CID 24580834
4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-phenylbenzamide
CID 51161114
3-[4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]phenyl]propanoic acid
CID 24580865

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(3,5-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide (CID 24580816) is 4-[(3,5-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(3,5-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(3,5-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1.
What is the InChIKey of 4-[(3,5-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide?
The InChIKey is XGZMLMKCWLONAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O3S/c1-19(2)15(20)10-3-5-13(6-4-10)18-23(21,22)14-8-11(16)7-12(17)9-14/h3-9,18H,1-2H3.
What are the key properties of 4-[(3,5-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide?
4-[(3,5-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide has a molecular weight of 340.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 24580816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).