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

C15H15FN2O3S — CID 24580823

IUPAC4-[(2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C15H15FN2O3S/c1-18(2)15(19)11-7-9-12(10-8-11)17-22(20,21)14-6-4-3-5-13(14)16/h3-10,17H,1-2H3
InChIKeyXCJJWLRMNAPUOC-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.33
Rot. Bonds4

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

4-[(2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide (PubChem CID 24580823) has the molecular formula C15H15FN2O3S and a molecular weight of 322.36 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
PubChem CID24580823
Molecular FormulaC15H15FN2O3S
Molecular Weight322.36 g/mol
Exact Mass322.08
IUPAC Name4-[(2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C15H15FN2O3S/c1-18(2)15(19)11-7-9-12(10-8-11)17-22(20,21)14-6-4-3-5-13(14)16/h3-10,17H,1-2H3
InChIKeyXCJJWLRMNAPUOC-UHFFFAOYSA-N
XLogP2.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24650939
4-[(3,5-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24580816
4-[2-[4-[(2-fluorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68689846
4-[(4-chlorophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 7971137
4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoic acid
CID 24580861
N,N-dimethyl-4-(sulfamoylamino)benzamide
CID 112573421
2-fluoro-N-[4-(methylaminomethyl)phenyl]benzenesulfonamide
CID 106911076
2-fluoro-N-[4-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)phenyl]benzenesulfonamide
CID 122255293
4-[(3,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24580843
N-[4-[(2S)-butan-2-yl]phenyl]-2-fluorobenzenesulfonamide
CID 2697045
3-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
CID 24580838
3-fluoro-4-(phenylsulfamoyl)benzoic acid
CID 79040936

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide (CID 24580823) is 4-[(2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccccc2F)cc1.
What is the InChIKey of 4-[(2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide?
The InChIKey is XCJJWLRMNAPUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3S/c1-18(2)15(19)11-7-9-12(10-8-11)17-22(20,21)14-6-4-3-5-13(14)16/h3-10,17H,1-2H3.
What are the key properties of 4-[(2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide?
4-[(2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide has a molecular weight of 322.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 24580823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).