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

C23H17F3N2O3S — CID 91357092

IUPACN-(3-methyl-1,2-oxazol-5-yl)-4-[4-[2-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(-c3ccc(-c4ccccc4C(F)(F)F)cc3)cc2)on1
InChIInChI=1S/C23H17F3N2O3S/c1-15-14-22(31-27-15)28-32(29,30)19-12-10-17(11-13-19)16-6-8-18(9-7-16)20-4-2-3-5-21(20)23(24,25)26/h2-14,28H,1H3
InChIKeyWNLOQLQDUJWIJN-UHFFFAOYSA-N
MW458.46 g/mol
LogP6.14
Rot. Bonds5

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

N-(3-methyl-1,2-oxazol-5-yl)-4-[4-[2-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide (PubChem CID 91357092) has the molecular formula C23H17F3N2O3S and a molecular weight of 458.46 g/mol. Its IUPAC name is N-(3-methyl-1,2-oxazol-5-yl)-4-[4-[2-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-oxazol-5-yl)-4-[4-[2-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
PubChem CID91357092
Molecular FormulaC23H17F3N2O3S
Molecular Weight458.46 g/mol
Exact Mass458.09
IUPAC NameN-(3-methyl-1,2-oxazol-5-yl)-4-[4-[2-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(-c3ccc(-c4ccccc4C(F)(F)F)cc3)cc2)on1
InChIInChI=1S/C23H17F3N2O3S/c1-15-14-22(31-27-15)28-32(29,30)19-12-10-17(11-13-19)16-6-8-18(9-7-16)20-4-2-3-5-21(20)23(24,25)26/h2-14,28H,1H3
InChIKeyWNLOQLQDUJWIJN-UHFFFAOYSA-N
XLogP6.14
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.46
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-4-[4-[2-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide?
The IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-4-[4-[2-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide (CID 91357092) is N-(3-methyl-1,2-oxazol-5-yl)-4-[4-[2-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-(3-methyl-1,2-oxazol-5-yl)-4-[4-[2-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-(3-methyl-1,2-oxazol-5-yl)-4-[4-[2-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(-c3ccc(-c4ccccc4C(F)(F)F)cc3)cc2)on1.
What is the InChIKey of N-(3-methyl-1,2-oxazol-5-yl)-4-[4-[2-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide?
The InChIKey is WNLOQLQDUJWIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O3S/c1-15-14-22(31-27-15)28-32(29,30)19-12-10-17(11-13-19)16-6-8-18(9-7-16)20-4-2-3-5-21(20)23(24,25)26/h2-14,28H,1H3.
What are the key properties of N-(3-methyl-1,2-oxazol-5-yl)-4-[4-[2-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide?
N-(3-methyl-1,2-oxazol-5-yl)-4-[4-[2-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide has a molecular weight of 458.46 g/mol, XLogP of 6.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-oxazol-5-yl)-4-[4-[2-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 91357092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).