N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide

C24H21FN4O6S2 — CID 2344397

IUPACN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)cc3)cc2)c1C
InChIInChI=1S/C24H21FN4O6S2/c1-15-16(2)27-35-24(15)29-37(33,34)20-13-9-18(10-14-20)26-23(30)21-5-3-4-6-22(21)28-36(31,32)19-11-7-17(25)8-12-19/h3-14,28-29H,1-2H3,(H,26,30)
InChIKeyUIVWNTAOLBKFDO-UHFFFAOYSA-N
MW544.59 g/mol
LogP4.28
Rot. Bonds8

About N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide (PubChem CID 2344397) has the molecular formula C24H21FN4O6S2 and a molecular weight of 544.59 g/mol. Its IUPAC name is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
PubChem CID2344397
Molecular FormulaC24H21FN4O6S2
Molecular Weight544.59 g/mol
Exact Mass544.09
IUPAC NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)cc3)cc2)c1C
InChIInChI=1S/C24H21FN4O6S2/c1-15-16(2)27-35-24(15)29-37(33,34)20-13-9-18(10-14-20)26-23(30)21-5-3-4-6-22(21)28-36(31,32)19-11-7-17(25)8-12-19/h3-14,28-29H,1-2H3,(H,26,30)
InChIKeyUIVWNTAOLBKFDO-UHFFFAOYSA-N
XLogP4.28
TPSA147.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.59
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide (CID 2344397) is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide is Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)cc3)cc2)c1C.
What is the InChIKey of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide?
The InChIKey is UIVWNTAOLBKFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O6S2/c1-15-16(2)27-35-24(15)29-37(33,34)20-13-9-18(10-14-20)26-23(30)21-5-3-4-6-22(21)28-36(31,32)19-11-7-17(25)8-12-19/h3-14,28-29H,1-2H3,(H,26,30).
What are the key properties of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide?
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide has a molecular weight of 544.59 g/mol, XLogP of 4.28, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 2344397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).