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

C17H15ClN4O4S — CID 647376

IUPAC1-(3-chlorophenyl)-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)no1
InChIInChI=1S/C17H15ClN4O4S/c1-11-9-16(21-26-11)22-27(24,25)15-7-5-13(6-8-15)19-17(23)20-14-4-2-3-12(18)10-14/h2-10H,1H3,(H,21,22)(H2,19,20,23)
InChIKeyZPVSVUQDRSPSFO-UHFFFAOYSA-N
MW406.85 g/mol
LogP4.08
Rot. Bonds5

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

1-(3-chlorophenyl)-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea (PubChem CID 647376) has the molecular formula C17H15ClN4O4S and a molecular weight of 406.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea
PubChem CID647376
Molecular FormulaC17H15ClN4O4S
Molecular Weight406.85 g/mol
Exact Mass406.05
IUPAC Name1-(3-chlorophenyl)-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)no1
InChIInChI=1S/C17H15ClN4O4S/c1-11-9-16(21-26-11)22-27(24,25)15-7-5-13(6-8-15)19-17(23)20-14-4-2-3-12(18)10-14/h2-10H,1H3,(H,21,22)(H2,19,20,23)
InChIKeyZPVSVUQDRSPSFO-UHFFFAOYSA-N
XLogP4.08
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.85
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea (CID 647376) is 1-(3-chlorophenyl)-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)no1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea?
The InChIKey is ZPVSVUQDRSPSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O4S/c1-11-9-16(21-26-11)22-27(24,25)15-7-5-13(6-8-15)19-17(23)20-14-4-2-3-12(18)10-14/h2-10H,1H3,(H,21,22)(H2,19,20,23).
What are the key properties of 1-(3-chlorophenyl)-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea?
1-(3-chlorophenyl)-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea has a molecular weight of 406.85 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea is sourced from PubChem (CID 647376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).