N-[4-(trifluoromethoxy)phenyl]-3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzenesulfonamide

C18H11F6N3O4S — CID 123663693

IUPACN-[4-(trifluoromethoxy)phenyl]-3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1cccc(C=Cc2noc(C(F)(F)F)n2)c1
InChIInChI=1S/C18H11F6N3O4S/c19-17(20,21)16-25-15(26-31-16)9-4-11-2-1-3-14(10-11)32(28,29)27-12-5-7-13(8-6-12)30-18(22,23)24/h1-10,27H
InChIKeyAZQKYPFHGQWDNB-UHFFFAOYSA-N
MW479.36 g/mol
LogP4.96
Rot. Bonds6

About N-[4-(trifluoromethoxy)phenyl]-3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzenesulfonamide

N-[4-(trifluoromethoxy)phenyl]-3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzenesulfonamide (PubChem CID 123663693) has the molecular formula C18H11F6N3O4S and a molecular weight of 479.36 g/mol. Its IUPAC name is N-[4-(trifluoromethoxy)phenyl]-3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(trifluoromethoxy)phenyl]-3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzenesulfonamide
PubChem CID123663693
Molecular FormulaC18H11F6N3O4S
Molecular Weight479.36 g/mol
Exact Mass479.04
IUPAC NameN-[4-(trifluoromethoxy)phenyl]-3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1cccc(C=Cc2noc(C(F)(F)F)n2)c1
InChIInChI=1S/C18H11F6N3O4S/c19-17(20,21)16-25-15(26-31-16)9-4-11-2-1-3-14(10-11)32(28,29)27-12-5-7-13(8-6-12)30-18(22,23)24/h1-10,27H
InChIKeyAZQKYPFHGQWDNB-UHFFFAOYSA-N
XLogP4.96
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.36
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(trifluoromethoxy)phenyl]-3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzenesulfonamide with MolForge

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Related Compounds

N-(4-cyanophenyl)-3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzenesulfonamide
CID 123807857
N-[4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]benzenesulfonamide
CID 123961076
N-(4-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 24662483
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 24662739
methyl (E)-3-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 20780474
3-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enoic acid
CID 67019652
methyl (E)-3-[3-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]prop-2-enoate
CID 155135938
N-(3-acetylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31688238
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 122297638
N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 174717303
4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 2108389
N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154312

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethoxy)phenyl]-3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzenesulfonamide?
The IUPAC name of N-[4-(trifluoromethoxy)phenyl]-3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzenesulfonamide (CID 123663693) is N-[4-(trifluoromethoxy)phenyl]-3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(trifluoromethoxy)phenyl]-3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzenesulfonamide?
The canonical SMILES for N-[4-(trifluoromethoxy)phenyl]-3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1cccc(C=Cc2noc(C(F)(F)F)n2)c1.
What is the InChIKey of N-[4-(trifluoromethoxy)phenyl]-3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzenesulfonamide?
The InChIKey is AZQKYPFHGQWDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F6N3O4S/c19-17(20,21)16-25-15(26-31-16)9-4-11-2-1-3-14(10-11)32(28,29)27-12-5-7-13(8-6-12)30-18(22,23)24/h1-10,27H.
What are the key properties of N-[4-(trifluoromethoxy)phenyl]-3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzenesulfonamide?
N-[4-(trifluoromethoxy)phenyl]-3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzenesulfonamide has a molecular weight of 479.36 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethoxy)phenyl]-3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzenesulfonamide is sourced from PubChem (CID 123663693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).