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

C18H16F2N2O4S — CID 15462875

IUPAC2-[4-(difluoromethoxy)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(OC(F)F)cc2)c1C
InChIInChI=1S/C18H16F2N2O4S/c1-11-12(2)21-26-17(11)22-27(23,24)16-6-4-3-5-15(16)13-7-9-14(10-8-13)25-18(19)20/h3-10,18,22H,1-2H3
InChIKeyQURWOMATAIIODE-UHFFFAOYSA-N
MW394.40 g/mol
LogP4.36
Rot. Bonds6

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

2-[4-(difluoromethoxy)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 15462875) has the molecular formula C18H16F2N2O4S and a molecular weight of 394.40 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID15462875
Molecular FormulaC18H16F2N2O4S
Molecular Weight394.40 g/mol
Exact Mass394.08
IUPAC Name2-[4-(difluoromethoxy)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(OC(F)F)cc2)c1C
InChIInChI=1S/C18H16F2N2O4S/c1-11-12(2)21-26-17(11)22-27(23,24)16-6-4-3-5-15(16)13-7-9-14(10-8-13)25-18(19)20/h3-10,18,22H,1-2H3
InChIKeyQURWOMATAIIODE-UHFFFAOYSA-N
XLogP4.36
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide (CID 15462875) is 2-[4-(difluoromethoxy)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(OC(F)F)cc2)c1C.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is QURWOMATAIIODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O4S/c1-11-12(2)21-26-17(11)22-27(23,24)16-6-4-3-5-15(16)13-7-9-14(10-8-13)25-18(19)20/h3-10,18,22H,1-2H3.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
2-[4-(difluoromethoxy)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 394.40 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 15462875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).