N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide

C21H22FN3O2S — CID 113027066

IUPACN-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)Nc1ccc(NCc2ccccc2F)cn1
InChIInChI=1S/C21H22FN3O2S/c22-20-11-5-4-10-18(20)15-23-19-12-13-21(24-16-19)25-28(26,27)14-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-13,16,23H,6,9,14-15H2,(H,24,25)
InChIKeyZZDGBGKYWHMHDA-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.21
Rot. Bonds9

About N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide

N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide (PubChem CID 113027066) 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]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide
PubChem CID113027066
Molecular FormulaC21H22FN3O2S
Molecular Weight399.49 g/mol
Exact Mass399.14
IUPAC NameN-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)Nc1ccc(NCc2ccccc2F)cn1
InChIInChI=1S/C21H22FN3O2S/c22-20-11-5-4-10-18(20)15-23-19-12-13-21(24-16-19)25-28(26,27)14-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-13,16,23H,6,9,14-15H2,(H,24,25)
InChIKeyZZDGBGKYWHMHDA-UHFFFAOYSA-N
XLogP4.21
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide
CID 113026569
N-(5-anilino-2-pyridinyl)-3-phenylpropane-1-sulfonamide
CID 113031280
N-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylpropane-1-sulfonamide
CID 113017433
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide
CID 113027057
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113027064
N-[5-(3-phenylpropylamino)-2-pyridinyl]benzenesulfonamide
CID 113029860
N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide
CID 113027137
2-fluoro-N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113026995
2-(4-chlorophenyl)-N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]acetamide
CID 113027010
N-[6-(butylamino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113009555
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113027011
N-[5-[butyl(methyl)amino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide
CID 113030616

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide (CID 113027066) is N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide is O=S(=O)(CCCc1ccccc1)Nc1ccc(NCc2ccccc2F)cn1.
What is the InChIKey of N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is ZZDGBGKYWHMHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2S/c22-20-11-5-4-10-18(20)15-23-19-12-13-21(24-16-19)25-28(26,27)14-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-13,16,23H,6,9,14-15H2,(H,24,25).
What are the key properties of N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide?
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 399.49 g/mol, XLogP of 4.21, 9 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]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 113027066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).