N-[5-[(4-methoxyphenyl)sulfamoyl]-2-pyrrolidin-1-ylphenyl]pyridine-4-carboxamide

C23H24N4O4S — CID 4857237

IUPACN-[5-[(4-methoxyphenyl)sulfamoyl]-2-pyrrolidin-1-ylphenyl]pyridine-4-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(N3CCCC3)c(NC(=O)c3ccncc3)c2)cc1
InChIInChI=1S/C23H24N4O4S/c1-31-19-6-4-18(5-7-19)26-32(29,30)20-8-9-22(27-14-2-3-15-27)21(16-20)25-23(28)17-10-12-24-13-11-17/h4-13,16,26H,2-3,14-15H2,1H3,(H,25,28)
InChIKeyODNMPHUWBQKTPH-UHFFFAOYSA-N
MW452.54 g/mol
LogP3.74
Rot. Bonds7

About N-[5-[(4-methoxyphenyl)sulfamoyl]-2-pyrrolidin-1-ylphenyl]pyridine-4-carboxamide

N-[5-[(4-methoxyphenyl)sulfamoyl]-2-pyrrolidin-1-ylphenyl]pyridine-4-carboxamide (PubChem CID 4857237) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-[5-[(4-methoxyphenyl)sulfamoyl]-2-pyrrolidin-1-ylphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-methoxyphenyl)sulfamoyl]-2-pyrrolidin-1-ylphenyl]pyridine-4-carboxamide
PubChem CID4857237
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC NameN-[5-[(4-methoxyphenyl)sulfamoyl]-2-pyrrolidin-1-ylphenyl]pyridine-4-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(N3CCCC3)c(NC(=O)c3ccncc3)c2)cc1
InChIInChI=1S/C23H24N4O4S/c1-31-19-6-4-18(5-7-19)26-32(29,30)20-8-9-22(27-14-2-3-15-27)21(16-20)25-23(28)17-10-12-24-13-11-17/h4-13,16,26H,2-3,14-15H2,1H3,(H,25,28)
InChIKeyODNMPHUWBQKTPH-UHFFFAOYSA-N
XLogP3.74
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,3-dimethylphenyl)-3-[5-[(4-methoxyphenyl)sulfamoyl]-2-pyrrolidin-1-ylphenyl]thiourea
CID 3516620
3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]benzamide
CID 4021155
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-methoxybenzamide
CID 113092344
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55946324
1-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-phenylurea
CID 4185237
4-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylanilino]-4-oxobut-2-enoic acid
CID 4868398
methyl 2-[5-[(4-chlorophenyl)sulfamoyl]-2-pyrrolidin-1-ylanilino]-2-oxoacetate
CID 5113515
N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 5168482
N-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-3-phenoxybenzamide
CID 4257487
4-fluoro-N-[3-[(4-methoxyphenyl)carbamoylamino]-4-pyrrolidin-1-ylphenyl]benzamide
CID 46326630
N-(5-chloro-2-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 23149647
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3,5-dimethoxybenzamide
CID 4796940

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methoxyphenyl)sulfamoyl]-2-pyrrolidin-1-ylphenyl]pyridine-4-carboxamide?
The IUPAC name of N-[5-[(4-methoxyphenyl)sulfamoyl]-2-pyrrolidin-1-ylphenyl]pyridine-4-carboxamide (CID 4857237) is N-[5-[(4-methoxyphenyl)sulfamoyl]-2-pyrrolidin-1-ylphenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-[(4-methoxyphenyl)sulfamoyl]-2-pyrrolidin-1-ylphenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[5-[(4-methoxyphenyl)sulfamoyl]-2-pyrrolidin-1-ylphenyl]pyridine-4-carboxamide is COc1ccc(NS(=O)(=O)c2ccc(N3CCCC3)c(NC(=O)c3ccncc3)c2)cc1.
What is the InChIKey of N-[5-[(4-methoxyphenyl)sulfamoyl]-2-pyrrolidin-1-ylphenyl]pyridine-4-carboxamide?
The InChIKey is ODNMPHUWBQKTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-31-19-6-4-18(5-7-19)26-32(29,30)20-8-9-22(27-14-2-3-15-27)21(16-20)25-23(28)17-10-12-24-13-11-17/h4-13,16,26H,2-3,14-15H2,1H3,(H,25,28).
What are the key properties of N-[5-[(4-methoxyphenyl)sulfamoyl]-2-pyrrolidin-1-ylphenyl]pyridine-4-carboxamide?
N-[5-[(4-methoxyphenyl)sulfamoyl]-2-pyrrolidin-1-ylphenyl]pyridine-4-carboxamide has a molecular weight of 452.54 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methoxyphenyl)sulfamoyl]-2-pyrrolidin-1-ylphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 4857237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).