N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-(1,2-oxazol-5-yl)benzenesulfonamide

C15H14F2N4O3S — CID 75401504

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-(1,2-oxazol-5-yl)benzenesulfonamide
SMILESCN(Cc1nccn1C(F)F)S(=O)(=O)c1ccccc1-c1ccno1
InChIInChI=1S/C15H14F2N4O3S/c1-20(10-14-18-8-9-21(14)15(16)17)25(22,23)13-5-3-2-4-11(13)12-6-7-19-24-12/h2-9,15H,10H2,1H3
InChIKeyQCYUTQWFXRAKKM-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.75
Rot. Bonds6

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-(1,2-oxazol-5-yl)benzenesulfonamide

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-(1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 75401504) has the molecular formula C15H14F2N4O3S and a molecular weight of 368.37 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-(1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-(1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID75401504
Molecular FormulaC15H14F2N4O3S
Molecular Weight368.37 g/mol
Exact Mass368.08
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-(1,2-oxazol-5-yl)benzenesulfonamide
SMILESCN(Cc1nccn1C(F)F)S(=O)(=O)c1ccccc1-c1ccno1
InChIInChI=1S/C15H14F2N4O3S/c1-20(10-14-18-8-9-21(14)15(16)17)25(22,23)13-5-3-2-4-11(13)12-6-7-19-24-12/h2-9,15H,10H2,1H3
InChIKeyQCYUTQWFXRAKKM-UHFFFAOYSA-N
XLogP2.75
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-(1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-(1,2-oxazol-5-yl)benzenesulfonamide (CID 75401504) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-(1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-(1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-(1,2-oxazol-5-yl)benzenesulfonamide is CN(Cc1nccn1C(F)F)S(=O)(=O)c1ccccc1-c1ccno1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-(1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is QCYUTQWFXRAKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O3S/c1-20(10-14-18-8-9-21(14)15(16)17)25(22,23)13-5-3-2-4-11(13)12-6-7-19-24-12/h2-9,15H,10H2,1H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-(1,2-oxazol-5-yl)benzenesulfonamide?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-(1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 368.37 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-(1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 75401504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).