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

C21H21N3O3S — CID 130431455

IUPACN-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(CNC(=O)c3ccncc3)cc2)cc1
InChIInChI=1S/C21H21N3O3S/c1-16-2-8-20(9-3-16)28(26,27)24-15-18-6-4-17(5-7-18)14-23-21(25)19-10-12-22-13-11-19/h2-13,24H,14-15H2,1H3,(H,23,25)
InChIKeyCJKQJHWLBSJVGG-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.80
Rot. Bonds7

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

N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-4-carboxamide (PubChem CID 130431455) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-4-carboxamide
PubChem CID130431455
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(CNC(=O)c3ccncc3)cc2)cc1
InChIInChI=1S/C21H21N3O3S/c1-16-2-8-20(9-3-16)28(26,27)24-15-18-6-4-17(5-7-18)14-23-21(25)19-10-12-22-13-11-19/h2-13,24H,14-15H2,1H3,(H,23,25)
InChIKeyCJKQJHWLBSJVGG-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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Related Compounds

Stf-31
CID 984333
N-hydroxy-4-({[(pyridin-3-yl)methyl][(2,3,4,5-tetrafluorophenyl)sulfonyl]amino}methyl)benzamide
CID 155144635
4-Acetyl-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 746813
Tubulin inhibitor 11
CID 139369407
3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139390983
N-[3-(4-Fluorophenyl)-3-(4-methanesulfonyl-phenyl)-propyl]-nicotinamide
CID 44475062
N'-isonicotinoylbenzenesulfonohydrazide
CID 468603
Sulfonamide deriv., 7i
CID 44520905
Piperazine moiety, 6
CID 57339813
(E)-N-[6-[3-[(2-methylphenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155537916
(E)-N-[6-[3-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155549611
(E)-N-[6-[3-[(2,5-dimethylphenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155564947

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-4-carboxamide (CID 130431455) is N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-4-carboxamide is Cc1ccc(S(=O)(=O)NCc2ccc(CNC(=O)c3ccncc3)cc2)cc1.
What is the InChIKey of N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is CJKQJHWLBSJVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-16-2-8-20(9-3-16)28(26,27)24-15-18-6-4-17(5-7-18)14-23-21(25)19-10-12-22-13-11-19/h2-13,24H,14-15H2,1H3,(H,23,25).
What are the key properties of N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-4-carboxamide?
N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-4-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-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 130431455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).