N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide

C21H22FN3O2S — CID 113027057

IUPACN-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(NCc3ccccc3F)cn2)c(C)c1
InChIInChI=1S/C21H22FN3O2S/c1-14-10-15(2)21(16(3)11-14)28(26,27)25-20-9-8-18(13-24-20)23-12-17-6-4-5-7-19(17)22/h4-11,13,23H,12H2,1-3H3,(H,24,25)
InChIKeyPUOMIIVGJKODFG-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.56
Rot. Bonds6

About N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide

N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 113027057) has the molecular formula C21H22FN3O2S and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID113027057
Molecular FormulaC21H22FN3O2S
Molecular Weight399.49 g/mol
Exact Mass399.14
IUPAC NameN-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(NCc3ccccc3F)cn2)c(C)c1
InChIInChI=1S/C21H22FN3O2S/c1-14-10-15(2)21(16(3)11-14)28(26,27)25-20-9-8-18(13-24-20)23-12-17-6-4-5-7-19(17)22/h4-11,13,23H,12H2,1-3H3,(H,24,25)
InChIKeyPUOMIIVGJKODFG-UHFFFAOYSA-N
XLogP4.56
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(benzylamino)-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide
CID 113026445
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113027064
N-[6-[(2-fluorophenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113012075
2,4-dimethyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026553
2-methoxy-5-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026561
2,4,6-trimethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113011825
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide
CID 113027066
N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide
CID 22206182
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113026556
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113026562
2,4-dimethyl-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026753
2,4,6-trimethyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016284

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide (CID 113027057) is N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ccc(NCc3ccccc3F)cn2)c(C)c1.
What is the InChIKey of N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is PUOMIIVGJKODFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2S/c1-14-10-15(2)21(16(3)11-14)28(26,27)25-20-9-8-18(13-24-20)23-12-17-6-4-5-7-19(17)22/h4-11,13,23H,12H2,1-3H3,(H,24,25).
What are the key properties of N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide?
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 399.49 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 113027057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).