N-[[4-[[(2-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide

C21H21N3O3S — CID 155561130

IUPACN-[[4-[[(2-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide
SMILESCc1ccccc1S(=O)(=O)NCc1ccc(CNC(=O)c2cccnc2)cc1
InChIInChI=1S/C21H21N3O3S/c1-16-5-2-3-7-20(16)28(26,27)24-14-18-10-8-17(9-11-18)13-23-21(25)19-6-4-12-22-15-19/h2-12,15,24H,13-14H2,1H3,(H,23,25)
InChIKeyIQJIYWRGGCRIDS-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.80
Rot. Bonds7

About N-[[4-[[(2-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide

N-[[4-[[(2-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 155561130) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[[4-[[(2-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[[(2-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide
PubChem CID155561130
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-[[4-[[(2-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide
SMILESCc1ccccc1S(=O)(=O)NCc1ccc(CNC(=O)c2cccnc2)cc1
InChIInChI=1S/C21H21N3O3S/c1-16-5-2-3-7-20(16)28(26,27)24-14-18-10-8-17(9-11-18)13-23-21(25)19-6-4-12-22-15-19/h2-12,15,24H,13-14H2,1H3,(H,23,25)
InChIKeyIQJIYWRGGCRIDS-UHFFFAOYSA-N
XLogP2.80
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(2-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[4-[[(2-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide (CID 155561130) is N-[[4-[[(2-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-[[(2-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-[[(2-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide is Cc1ccccc1S(=O)(=O)NCc1ccc(CNC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[[4-[[(2-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is IQJIYWRGGCRIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-16-5-2-3-7-20(16)28(26,27)24-14-18-10-8-17(9-11-18)13-23-21(25)19-6-4-12-22-15-19/h2-12,15,24H,13-14H2,1H3,(H,23,25).
What are the key properties of N-[[4-[[(2-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide?
N-[[4-[[(2-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(2-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 155561130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).