N-[5-methyl-1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide

C18H17N3O3S — CID 71260417

IUPACN-[5-methyl-1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cc2C)cc1
InChIInChI=1S/C18H17N3O3S/c1-13-6-8-16(9-7-13)25(23,24)21-12-15(11-14(21)2)20-18(22)17-5-3-4-10-19-17/h3-12H,1-2H3,(H,20,22)
InChIKeyPYPOZSBYHCQOSY-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.99
Rot. Bonds4

About N-[5-methyl-1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide

N-[5-methyl-1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide (PubChem CID 71260417) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[5-methyl-1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
PubChem CID71260417
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-[5-methyl-1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cc2C)cc1
InChIInChI=1S/C18H17N3O3S/c1-13-6-8-16(9-7-13)25(23,24)21-12-15(11-14(21)2)20-18(22)17-5-3-4-10-19-17/h3-12H,1-2H3,(H,20,22)
InChIKeyPYPOZSBYHCQOSY-UHFFFAOYSA-N
XLogP2.99
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(4-methylphenyl)sulfonylpyridine-2-carbohydrazide
CID 26951444
dichloromanganese;bis(N-(4-methylphenyl)pyridine-2-carboxamide)
CID 11455628
N-[4-[(2,4,6-trimethylphenyl)methylsulfamoyl]phenyl]pyridine-2-carboxamide
CID 45111504
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-2-carboxamide
CID 19224265
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
CID 26187503
N-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 71260481
N-[4-methyl-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 4867706
N-[2-(4-methylanilino)phenyl]pyridine-2-carboxamide
CID 108745005
3,5-dimethyl-4-(pyridine-2-carbonylamino)benzenesulfonyl chloride
CID 43102261
N'-methyl-N-[(4-methylphenyl)sulfonylamino]pyridine-2-carboximidamide
CID 25185414
1-methyl-4-[[1-methyl-4-(pyridine-2-carbonylamino)pyrrole-2-carbonyl]amino]pyrrole-2-carboxylic acid
CID 139332490
N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 47028121

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[5-methyl-1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide (CID 71260417) is N-[5-methyl-1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-methyl-1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[5-methyl-1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide is Cc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cc2C)cc1.
What is the InChIKey of N-[5-methyl-1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide?
The InChIKey is PYPOZSBYHCQOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-13-6-8-16(9-7-13)25(23,24)21-12-15(11-14(21)2)20-18(22)17-5-3-4-10-19-17/h3-12H,1-2H3,(H,20,22).
What are the key properties of N-[5-methyl-1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide?
N-[5-methyl-1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71260417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).