N-[(3-chloro-4-fluorophenyl)methyl]-2-fluorobenzenesulfonamide

C13H10ClF2NO2S — CID 62537779

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1ccc(F)c(Cl)c1)c1ccccc1F
InChIInChI=1S/C13H10ClF2NO2S/c14-10-7-9(5-6-11(10)15)8-17-20(18,19)13-4-2-1-3-12(13)16/h1-7,17H,8H2
InChIKeyRKQVAODSVGYKEQ-UHFFFAOYSA-N
MW317.74 g/mol
LogP3.10
Rot. Bonds4

About N-[(3-chloro-4-fluorophenyl)methyl]-2-fluorobenzenesulfonamide

N-[(3-chloro-4-fluorophenyl)methyl]-2-fluorobenzenesulfonamide (PubChem CID 62537779) has the molecular formula C13H10ClF2NO2S and a molecular weight of 317.74 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-2-fluorobenzenesulfonamide
PubChem CID62537779
Molecular FormulaC13H10ClF2NO2S
Molecular Weight317.74 g/mol
Exact Mass317.01
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1ccc(F)c(Cl)c1)c1ccccc1F
InChIInChI=1S/C13H10ClF2NO2S/c14-10-7-9(5-6-11(10)15)8-17-20(18,19)13-4-2-1-3-12(13)16/h1-7,17H,8H2
InChIKeyRKQVAODSVGYKEQ-UHFFFAOYSA-N
XLogP3.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 3752569
N-[[3-(chloromethyl)phenyl]methyl]-2-fluorobenzenesulfonamide
CID 65032551
N-[(3-chloro-2,6-difluorophenyl)methyl]-2-fluorobenzenesulfonamide
CID 5239900
5-amino-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 62537243
N-[[4-(2-aminoethyl)phenyl]methyl]-2-fluorobenzenesulfonamide
CID 62502665
5-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylfuran-3-sulfonamide
CID 106055528
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724
3-amino-4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 62539057
4-amino-3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 115330027
3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-5-fluorobenzenesulfonamide
CID 63322498
N-[(3-chloro-4-fluorophenyl)methyl]-2-(difluoromethylsulfonyl)aniline
CID 133282760
5-[(3-chloro-4-fluorophenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62539404

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2-fluorobenzenesulfonamide (CID 62537779) is N-[(3-chloro-4-fluorophenyl)methyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-2-fluorobenzenesulfonamide is O=S(=O)(NCc1ccc(F)c(Cl)c1)c1ccccc1F.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-2-fluorobenzenesulfonamide?
The InChIKey is RKQVAODSVGYKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO2S/c14-10-7-9(5-6-11(10)15)8-17-20(18,19)13-4-2-1-3-12(13)16/h1-7,17H,8H2.
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-2-fluorobenzenesulfonamide?
N-[(3-chloro-4-fluorophenyl)methyl]-2-fluorobenzenesulfonamide has a molecular weight of 317.74 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 62537779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).