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

C18H13F4N3O4S — CID 2330435

IUPACN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,3,4,5-tetrafluorobenzamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc(F)c(F)c(F)c3F)cc2)c1C
InChIInChI=1S/C18H13F4N3O4S/c1-8-9(2)24-29-18(8)25-30(27,28)11-5-3-10(4-6-11)23-17(26)12-7-13(19)15(21)16(22)14(12)20/h3-7,25H,1-2H3,(H,23,26)
InChIKeyONQXHIBRMITEES-UHFFFAOYSA-N
MW443.38 g/mol
LogP3.90
Rot. Bonds5

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

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,3,4,5-tetrafluorobenzamide (PubChem CID 2330435) has the molecular formula C18H13F4N3O4S and a molecular weight of 443.38 g/mol. Its IUPAC name is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,3,4,5-tetrafluorobenzamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,3,4,5-tetrafluorobenzamide
PubChem CID2330435
Molecular FormulaC18H13F4N3O4S
Molecular Weight443.38 g/mol
Exact Mass443.06
IUPAC NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,3,4,5-tetrafluorobenzamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc(F)c(F)c(F)c3F)cc2)c1C
InChIInChI=1S/C18H13F4N3O4S/c1-8-9(2)24-29-18(8)25-30(27,28)11-5-3-10(4-6-11)23-17(26)12-7-13(19)15(21)16(22)14(12)20/h3-7,25H,1-2H3,(H,23,26)
InChIKeyONQXHIBRMITEES-UHFFFAOYSA-N
XLogP3.90
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.38
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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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]-2,3,4,5-tetrafluorobenzamide?
The IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,3,4,5-tetrafluorobenzamide (CID 2330435) is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,3,4,5-tetrafluorobenzamide.
What is the SMILES notation for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,3,4,5-tetrafluorobenzamide?
The canonical SMILES for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,3,4,5-tetrafluorobenzamide is Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc(F)c(F)c(F)c3F)cc2)c1C.
What is the InChIKey of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,3,4,5-tetrafluorobenzamide?
The InChIKey is ONQXHIBRMITEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3O4S/c1-8-9(2)24-29-18(8)25-30(27,28)11-5-3-10(4-6-11)23-17(26)12-7-13(19)15(21)16(22)14(12)20/h3-7,25H,1-2H3,(H,23,26).
What are the key properties of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,3,4,5-tetrafluorobenzamide?
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,3,4,5-tetrafluorobenzamide has a molecular weight of 443.38 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,3,4,5-tetrafluorobenzamide is sourced from PubChem (CID 2330435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).