N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-6-methoxyquinoline-2-carboxamide

C23H18FN3O4S — CID 166435654

IUPACN-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-6-methoxyquinoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)Nc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)ccc2c1
InChIInChI=1S/C23H18FN3O4S/c1-31-19-9-13-21-15(14-19)2-12-22(26-21)23(28)25-17-5-7-18(8-6-17)27-32(29,30)20-10-3-16(24)4-11-20/h2-14,27H,1H3,(H,25,28)
InChIKeyOBAXXYBYDWVUOU-UHFFFAOYSA-N
MW451.48 g/mol
LogP4.44
Rot. Bonds6

About N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-6-methoxyquinoline-2-carboxamide

N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-6-methoxyquinoline-2-carboxamide (PubChem CID 166435654) has the molecular formula C23H18FN3O4S and a molecular weight of 451.48 g/mol. Its IUPAC name is N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-6-methoxyquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-6-methoxyquinoline-2-carboxamide
PubChem CID166435654
Molecular FormulaC23H18FN3O4S
Molecular Weight451.48 g/mol
Exact Mass451.10
IUPAC NameN-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-6-methoxyquinoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)Nc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)ccc2c1
InChIInChI=1S/C23H18FN3O4S/c1-31-19-9-13-21-15(14-19)2-12-22(26-21)23(28)25-17-5-7-18(8-6-17)27-32(29,30)20-10-3-16(24)4-11-20/h2-14,27H,1H3,(H,25,28)
InChIKeyOBAXXYBYDWVUOU-UHFFFAOYSA-N
XLogP4.44
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoline-2-carboxamide
CID 24584233
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,5-dimethoxybenzamide
CID 1303974
N-(4-ethoxyphenyl)-6-methoxyquinoline-2-carboxamide
CID 33314007
3-(4-fluorophenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 4276239
N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16802460
N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7553556
N-(3-fluorophenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26579550
methyl 3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoate
CID 17175147
N-(1,3-benzodioxol-5-yl)-6-methoxyquinoline-2-carboxamide
CID 33313694
4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide
CID 27228973
2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 1226628
(2R)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 27059928

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-6-methoxyquinoline-2-carboxamide?
The IUPAC name of N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-6-methoxyquinoline-2-carboxamide (CID 166435654) is N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-6-methoxyquinoline-2-carboxamide.
What is the SMILES notation for N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-6-methoxyquinoline-2-carboxamide?
The canonical SMILES for N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-6-methoxyquinoline-2-carboxamide is COc1ccc2nc(C(=O)Nc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)ccc2c1.
What is the InChIKey of N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-6-methoxyquinoline-2-carboxamide?
The InChIKey is OBAXXYBYDWVUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O4S/c1-31-19-9-13-21-15(14-19)2-12-22(26-21)23(28)25-17-5-7-18(8-6-17)27-32(29,30)20-10-3-16(24)4-11-20/h2-14,27H,1H3,(H,25,28).
What are the key properties of N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-6-methoxyquinoline-2-carboxamide?
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-6-methoxyquinoline-2-carboxamide has a molecular weight of 451.48 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-6-methoxyquinoline-2-carboxamide is sourced from PubChem (CID 166435654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).