5-fluoro-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-2-carboxamide

C21H20FN3O3S — CID 155524685

IUPAC5-fluoro-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(CNC(=O)c3ccc(F)cn3)cc2)cc1
InChIInChI=1S/C21H20FN3O3S/c1-15-2-9-19(10-3-15)29(27,28)25-13-17-6-4-16(5-7-17)12-24-21(26)20-11-8-18(22)14-23-20/h2-11,14,25H,12-13H2,1H3,(H,24,26)
InChIKeyOXEJRWMRDCHYEJ-UHFFFAOYSA-N
MW413.47 g/mol
LogP2.94
Rot. Bonds7

About 5-fluoro-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-2-carboxamide

5-fluoro-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-2-carboxamide (PubChem CID 155524685) has the molecular formula C21H20FN3O3S and a molecular weight of 413.47 g/mol. Its IUPAC name is 5-fluoro-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-2-carboxamide
PubChem CID155524685
Molecular FormulaC21H20FN3O3S
Molecular Weight413.47 g/mol
Exact Mass413.12
IUPAC Name5-fluoro-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(CNC(=O)c3ccc(F)cn3)cc2)cc1
InChIInChI=1S/C21H20FN3O3S/c1-15-2-9-19(10-3-15)29(27,28)25-13-17-6-4-16(5-7-17)12-24-21(26)20-11-8-18(22)14-23-20/h2-11,14,25H,12-13H2,1H3,(H,24,26)
InChIKeyOXEJRWMRDCHYEJ-UHFFFAOYSA-N
XLogP2.94
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Stf-31
CID 984333
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2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyridin-2-yl)benzohydrazide
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Tubulin inhibitor 11
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3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
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Cnv-2197944
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CID 155565565
3-(piperidin-1-ylsulfonyl)-N-(pyridin-3-yl)benzamide
CID 812621
4-(Benzenesulfonyl-methyl-amino)-N-pyridin-3-yl-benzamide
CID 1118209
3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide
CID 2228455
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
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N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 2575978

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 5-fluoro-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-2-carboxamide (CID 155524685) is 5-fluoro-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-2-carboxamide is Cc1ccc(S(=O)(=O)NCc2ccc(CNC(=O)c3ccc(F)cn3)cc2)cc1.
What is the InChIKey of 5-fluoro-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is OXEJRWMRDCHYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3S/c1-15-2-9-19(10-3-15)29(27,28)25-13-17-6-4-16(5-7-17)12-24-21(26)20-11-8-18(22)14-23-20/h2-11,14,25H,12-13H2,1H3,(H,24,26).
What are the key properties of 5-fluoro-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-2-carboxamide?
5-fluoro-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 413.47 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 155524685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).