N-[4-[(2,4,6-trimethylphenyl)methylsulfamoyl]phenyl]pyridine-2-carboxamide

C22H23N3O3S — CID 45111504

IUPACN-[4-[(2,4,6-trimethylphenyl)methylsulfamoyl]phenyl]pyridine-2-carboxamide
SMILESCc1cc(C)c(CNS(=O)(=O)c2ccc(NC(=O)c3ccccn3)cc2)c(C)c1
InChIInChI=1S/C22H23N3O3S/c1-15-12-16(2)20(17(3)13-15)14-24-29(27,28)19-9-7-18(8-10-19)25-22(26)21-6-4-5-11-23-21/h4-13,24H,14H2,1-3H3,(H,25,26)
InChIKeyMPVLWFSXOHJXKJ-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.74
Rot. Bonds6

About N-[4-[(2,4,6-trimethylphenyl)methylsulfamoyl]phenyl]pyridine-2-carboxamide

N-[4-[(2,4,6-trimethylphenyl)methylsulfamoyl]phenyl]pyridine-2-carboxamide (PubChem CID 45111504) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[4-[(2,4,6-trimethylphenyl)methylsulfamoyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,4,6-trimethylphenyl)methylsulfamoyl]phenyl]pyridine-2-carboxamide
PubChem CID45111504
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-[4-[(2,4,6-trimethylphenyl)methylsulfamoyl]phenyl]pyridine-2-carboxamide
SMILESCc1cc(C)c(CNS(=O)(=O)c2ccc(NC(=O)c3ccccn3)cc2)c(C)c1
InChIInChI=1S/C22H23N3O3S/c1-15-12-16(2)20(17(3)13-15)14-24-29(27,28)19-9-7-18(8-10-19)25-22(26)21-6-4-5-11-23-21/h4-13,24H,14H2,1-3H3,(H,25,26)
InChIKeyMPVLWFSXOHJXKJ-UHFFFAOYSA-N
XLogP3.74
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109060879
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-2-carboxamide
CID 19224265
dichloromanganese;bis(N-(4-methylphenyl)pyridine-2-carboxamide)
CID 11455628
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 4780813
N-[4-[(4-methyl-3-nitrophenyl)sulfonylamino]phenyl]pyridine-2-carboxamide
CID 4838891
3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2597997
N-[3-methoxy-4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide
CID 45110911
N-[5-methyl-1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 71260417
N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 9469996
N'-(4-methylphenyl)sulfonylpyridine-2-carbohydrazide
CID 26951444
N-(3-amino-4-methylphenyl)pyridine-2-carboxamide
CID 24707912
N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 19224279

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4,6-trimethylphenyl)methylsulfamoyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[(2,4,6-trimethylphenyl)methylsulfamoyl]phenyl]pyridine-2-carboxamide (CID 45111504) is N-[4-[(2,4,6-trimethylphenyl)methylsulfamoyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(2,4,6-trimethylphenyl)methylsulfamoyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[(2,4,6-trimethylphenyl)methylsulfamoyl]phenyl]pyridine-2-carboxamide is Cc1cc(C)c(CNS(=O)(=O)c2ccc(NC(=O)c3ccccn3)cc2)c(C)c1.
What is the InChIKey of N-[4-[(2,4,6-trimethylphenyl)methylsulfamoyl]phenyl]pyridine-2-carboxamide?
The InChIKey is MPVLWFSXOHJXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-15-12-16(2)20(17(3)13-15)14-24-29(27,28)19-9-7-18(8-10-19)25-22(26)21-6-4-5-11-23-21/h4-13,24H,14H2,1-3H3,(H,25,26).
What are the key properties of N-[4-[(2,4,6-trimethylphenyl)methylsulfamoyl]phenyl]pyridine-2-carboxamide?
N-[4-[(2,4,6-trimethylphenyl)methylsulfamoyl]phenyl]pyridine-2-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4,6-trimethylphenyl)methylsulfamoyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 45111504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).