2-[(3-cyanophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide

C17H16FN3O3S — CID 2568918

IUPAC2-[(3-cyanophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1F)C(=O)CNS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C17H16FN3O3S/c1-21(12-14-6-2-3-8-16(14)18)17(22)11-20-25(23,24)15-7-4-5-13(9-15)10-19/h2-9,20H,11-12H2,1H3
InChIKeySBVBDQKUCCURQS-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.63
Rot. Bonds6

About 2-[(3-cyanophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide

2-[(3-cyanophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 2568918) has the molecular formula C17H16FN3O3S and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-[(3-cyanophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-cyanophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
PubChem CID2568918
Molecular FormulaC17H16FN3O3S
Molecular Weight361.40 g/mol
Exact Mass361.09
IUPAC Name2-[(3-cyanophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1F)C(=O)CNS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C17H16FN3O3S/c1-21(12-14-6-2-3-8-16(14)18)17(22)11-20-25(23,24)15-7-4-5-13(9-15)10-19/h2-9,20H,11-12H2,1H3
InChIKeySBVBDQKUCCURQS-UHFFFAOYSA-N
XLogP1.63
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[(3-cyanophenyl)sulfonylamino]-N-methylacetamide
CID 112760071
2-[(3-cyanophenyl)sulfonylamino]acetic acid
CID 3796207
N-benzyl-2-[(4-cyanophenyl)sulfonylamino]-N-methylacetamide
CID 112760070
3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide
CID 8500884
3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502071
2-(4-cyanophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 2527758
3-cyano-N-(2-cyclopropyl-2-oxoethyl)benzenesulfonamide
CID 75399111
2-[(3-cyanophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 115569559
3-[(2-fluorophenyl)methyl-methylamino]benzonitrile
CID 47078108
3-cyano-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
CID 3292896
5-(ethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 31138800
3-cyano-N-(4-hydroxybutyl)benzenesulfonamide
CID 106842266

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyanophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[(3-cyanophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide (CID 2568918) is 2-[(3-cyanophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[(3-cyanophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[(3-cyanophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide is CN(Cc1ccccc1F)C(=O)CNS(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of 2-[(3-cyanophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is SBVBDQKUCCURQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3S/c1-21(12-14-6-2-3-8-16(14)18)17(22)11-20-25(23,24)15-7-4-5-13(9-15)10-19/h2-9,20H,11-12H2,1H3.
What are the key properties of 2-[(3-cyanophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
2-[(3-cyanophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 361.40 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyanophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 2568918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).