2-(2-chlorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]quinoline-4-carboxamide

C26H19ClN4O4S — CID 2402743

IUPAC2-(2-chlorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]quinoline-4-carboxamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccccc4Cl)nc4ccccc34)cc2)no1
InChIInChI=1S/C26H19ClN4O4S/c1-16-14-25(30-35-16)31-36(33,34)18-12-10-17(11-13-18)28-26(32)21-15-24(20-7-2-4-8-22(20)27)29-23-9-5-3-6-19(21)23/h2-15H,1H3,(H,28,32)(H,30,31)
InChIKeyLVIARRMVVCWSRB-UHFFFAOYSA-N
MW518.98 g/mol
LogP5.90
Rot. Bonds6

About 2-(2-chlorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]quinoline-4-carboxamide

2-(2-chlorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]quinoline-4-carboxamide (PubChem CID 2402743) has the molecular formula C26H19ClN4O4S and a molecular weight of 518.98 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]quinoline-4-carboxamide
PubChem CID2402743
Molecular FormulaC26H19ClN4O4S
Molecular Weight518.98 g/mol
Exact Mass518.08
IUPAC Name2-(2-chlorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]quinoline-4-carboxamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccccc4Cl)nc4ccccc34)cc2)no1
InChIInChI=1S/C26H19ClN4O4S/c1-16-14-25(30-35-16)31-36(33,34)18-12-10-17(11-13-18)28-26(32)21-15-24(20-7-2-4-8-22(20)27)29-23-9-5-3-6-19(21)23/h2-15H,1H3,(H,28,32)(H,30,31)
InChIKeyLVIARRMVVCWSRB-UHFFFAOYSA-N
XLogP5.90
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.98
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]quinoline-4-carboxamide (CID 2402743) is 2-(2-chlorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]quinoline-4-carboxamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccccc4Cl)nc4ccccc34)cc2)no1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]quinoline-4-carboxamide?
The InChIKey is LVIARRMVVCWSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN4O4S/c1-16-14-25(30-35-16)31-36(33,34)18-12-10-17(11-13-18)28-26(32)21-15-24(20-7-2-4-8-22(20)27)29-23-9-5-3-6-19(21)23/h2-15H,1H3,(H,28,32)(H,30,31).
What are the key properties of 2-(2-chlorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]quinoline-4-carboxamide?
2-(2-chlorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]quinoline-4-carboxamide has a molecular weight of 518.98 g/mol, XLogP of 5.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 2402743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).