2-(3-chloro-4-fluorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide

C18H15ClFN3O4S — CID 53255428

IUPAC2-(3-chloro-4-fluorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(F)c(Cl)c3)cc2)no1
InChIInChI=1S/C18H15ClFN3O4S/c1-11-8-17(22-27-11)23-28(25,26)14-5-3-13(4-6-14)21-18(24)10-12-2-7-16(20)15(19)9-12/h2-9H,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyPHMRRWNGTSNAOQ-UHFFFAOYSA-N
MW423.85 g/mol
LogP3.76
Rot. Bonds6

About 2-(3-chloro-4-fluorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide

2-(3-chloro-4-fluorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide (PubChem CID 53255428) has the molecular formula C18H15ClFN3O4S and a molecular weight of 423.85 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
PubChem CID53255428
Molecular FormulaC18H15ClFN3O4S
Molecular Weight423.85 g/mol
Exact Mass423.05
IUPAC Name2-(3-chloro-4-fluorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(F)c(Cl)c3)cc2)no1
InChIInChI=1S/C18H15ClFN3O4S/c1-11-8-17(22-27-11)23-28(25,26)14-5-3-13(4-6-14)21-18(24)10-12-2-7-16(20)15(19)9-12/h2-9H,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyPHMRRWNGTSNAOQ-UHFFFAOYSA-N
XLogP3.76
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.85
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide (CID 53255428) is 2-(3-chloro-4-fluorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(F)c(Cl)c3)cc2)no1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is PHMRRWNGTSNAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O4S/c1-11-8-17(22-27-11)23-28(25,26)14-5-3-13(4-6-14)21-18(24)10-12-2-7-16(20)15(19)9-12/h2-9H,10H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
2-(3-chloro-4-fluorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 423.85 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 53255428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).