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

C21H21N3O3S — CID 45111050

IUPACN-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide
SMILESCc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccn3)cc2)c(C)c1
InChIInChI=1S/C21H21N3O3S/c1-14-12-15(2)20(16(3)13-14)24-28(26,27)18-9-7-17(8-10-18)23-21(25)19-6-4-5-11-22-19/h4-13,24H,1-3H3,(H,23,25)
InChIKeyMJSKDSUPUPCFKH-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.06
Rot. Bonds5

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

N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide (PubChem CID 45111050) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide
PubChem CID45111050
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide
SMILESCc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccn3)cc2)c(C)c1
InChIInChI=1S/C21H21N3O3S/c1-14-12-15(2)20(16(3)13-14)24-28(26,27)18-9-7-17(8-10-18)23-21(25)19-6-4-5-11-22-19/h4-13,24H,1-3H3,(H,23,25)
InChIKeyMJSKDSUPUPCFKH-UHFFFAOYSA-N
XLogP4.06
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 984333
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N-(3-pyridyl)[3-(pyrrolidinylsulfonyl)phenyl]carboxamide
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(E)-N-[6-[3-[(2-methylphenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155537916
3-(piperidin-1-ylsulfonyl)-N-(pyridin-3-yl)benzamide
CID 812621
N-[4-[[4-(pyridin-4-ylmethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1088545
4-(Benzenesulfonyl-methyl-amino)-N-pyridin-3-yl-benzamide
CID 1118209
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide
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CID 2575978

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide (CID 45111050) is N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide is Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccn3)cc2)c(C)c1.
What is the InChIKey of N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide?
The InChIKey is MJSKDSUPUPCFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-14-12-15(2)20(16(3)13-14)24-28(26,27)18-9-7-17(8-10-18)23-21(25)19-6-4-5-11-22-19/h4-13,24H,1-3H3,(H,23,25).
What are the key properties of N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide?
N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 4.06, 5 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)sulfamoyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 45111050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).