N-[(3-fluorophenyl)methyl]-3-[[(6-methyl-2-pyridinyl)amino]methyl]benzenesulfonamide

C20H20FN3O2S — CID 133482259

IUPACN-[(3-fluorophenyl)methyl]-3-[[(6-methyl-2-pyridinyl)amino]methyl]benzenesulfonamide
SMILESCc1cccc(NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)n1
InChIInChI=1S/C20H20FN3O2S/c1-15-5-2-10-20(24-15)22-13-17-7-4-9-19(12-17)27(25,26)23-14-16-6-3-8-18(21)11-16/h2-12,23H,13-14H2,1H3,(H,22,24)
InChIKeyFPDRAQBUZLVBMF-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.62
Rot. Bonds7

About N-[(3-fluorophenyl)methyl]-3-[[(6-methyl-2-pyridinyl)amino]methyl]benzenesulfonamide

N-[(3-fluorophenyl)methyl]-3-[[(6-methyl-2-pyridinyl)amino]methyl]benzenesulfonamide (PubChem CID 133482259) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-[[(6-methyl-2-pyridinyl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-[[(6-methyl-2-pyridinyl)amino]methyl]benzenesulfonamide
PubChem CID133482259
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC NameN-[(3-fluorophenyl)methyl]-3-[[(6-methyl-2-pyridinyl)amino]methyl]benzenesulfonamide
SMILESCc1cccc(NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)n1
InChIInChI=1S/C20H20FN3O2S/c1-15-5-2-10-20(24-15)22-13-17-7-4-9-19(12-17)27(25,26)23-14-16-6-3-8-18(21)11-16/h2-12,23H,13-14H2,1H3,(H,22,24)
InChIKeyFPDRAQBUZLVBMF-UHFFFAOYSA-N
XLogP3.62
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
N-[[3-(bromomethyl)phenyl]methyl]-3-fluorobenzenesulfonamide
CID 114297989
2-N-ethyl-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine
CID 80771478
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 55946409
N-[(3-fluorophenyl)methyl]-4-(methylamino)benzenesulfonamide
CID 43332122
3-amino-4-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 43258739
N-[(3-fluorophenyl)methyl]-4-methyl-3-nitrobenzenesulfonamide
CID 46406821
3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 18097170
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119731459
N-[(3,5-dichlorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 3858076
1-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclopropane-1-carboxamide
CID 119731455
3-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]pyrazine-2-carboxamide
CID 55946410

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-[[(6-methyl-2-pyridinyl)amino]methyl]benzenesulfonamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-[[(6-methyl-2-pyridinyl)amino]methyl]benzenesulfonamide (CID 133482259) is N-[(3-fluorophenyl)methyl]-3-[[(6-methyl-2-pyridinyl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-[[(6-methyl-2-pyridinyl)amino]methyl]benzenesulfonamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-[[(6-methyl-2-pyridinyl)amino]methyl]benzenesulfonamide is Cc1cccc(NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)n1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-[[(6-methyl-2-pyridinyl)amino]methyl]benzenesulfonamide?
The InChIKey is FPDRAQBUZLVBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-15-5-2-10-20(24-15)22-13-17-7-4-9-19(12-17)27(25,26)23-14-16-6-3-8-18(21)11-16/h2-12,23H,13-14H2,1H3,(H,22,24).
What are the key properties of N-[(3-fluorophenyl)methyl]-3-[[(6-methyl-2-pyridinyl)amino]methyl]benzenesulfonamide?
N-[(3-fluorophenyl)methyl]-3-[[(6-methyl-2-pyridinyl)amino]methyl]benzenesulfonamide has a molecular weight of 385.46 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-[[(6-methyl-2-pyridinyl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 133482259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).