N-fluoro-4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]sulfonylbenzenesulfonamide

C14H8F7NO6S2 — CID 57337680

IUPACN-fluoro-4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]sulfonylbenzenesulfonamide
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N(F)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H8F7NO6S2/c15-13(16,17)27-9-1-5-11(6-2-9)29(23,24)22(21)30(25,26)12-7-3-10(4-8-12)28-14(18,19)20/h1-8H
InChIKeyVFSMYWVJTZXWAG-UHFFFAOYSA-N
MW483.34 g/mol
LogP3.75
Rot. Bonds6

About N-fluoro-4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]sulfonylbenzenesulfonamide

N-fluoro-4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]sulfonylbenzenesulfonamide (PubChem CID 57337680) has the molecular formula C14H8F7NO6S2 and a molecular weight of 483.34 g/mol. Its IUPAC name is N-fluoro-4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]sulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-fluoro-4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]sulfonylbenzenesulfonamide
PubChem CID57337680
Molecular FormulaC14H8F7NO6S2
Molecular Weight483.34 g/mol
Exact Mass482.97
IUPAC NameN-fluoro-4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]sulfonylbenzenesulfonamide
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N(F)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H8F7NO6S2/c15-13(16,17)27-9-1-5-11(6-2-9)29(23,24)22(21)30(25,26)12-7-3-10(4-8-12)28-14(18,19)20/h1-8H
InChIKeyVFSMYWVJTZXWAG-UHFFFAOYSA-N
XLogP3.75
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N,N-dipropyl-4-(trifluoromethoxy)benzenesulfonamide
CID 17154292
N,N-bis(prop-2-enyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154273
N-(2-aminoethyl)-N-methyl-4-(trifluoromethoxy)benzenesulfonamide
CID 55103943
N-butyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide
CID 71107488
4-(trifluoromethoxy)benzenesulfonohydrazide
CID 2744727
2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetic acid
CID 2473183
N-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide
CID 63298210
N-benzyl-N-cyclopropyl-4-(trifluoromethoxy)benzenesulfonamide
CID 24663515
N-tert-butyl-2-[methyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 9189126
N-(2-bromobutyl)-N-propyl-4-(trifluoromethoxy)benzenesulfonamide
CID 58713029
[4-(trifluoromethoxy)phenyl] benzenesulfonate
CID 174480543
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 39794988

Frequently Asked Questions

What is the IUPAC name of N-fluoro-4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]sulfonylbenzenesulfonamide?
The IUPAC name of N-fluoro-4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]sulfonylbenzenesulfonamide (CID 57337680) is N-fluoro-4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]sulfonylbenzenesulfonamide.
What is the SMILES notation for N-fluoro-4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]sulfonylbenzenesulfonamide?
The canonical SMILES for N-fluoro-4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]sulfonylbenzenesulfonamide is O=S(=O)(c1ccc(OC(F)(F)F)cc1)N(F)S(=O)(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-fluoro-4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]sulfonylbenzenesulfonamide?
The InChIKey is VFSMYWVJTZXWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F7NO6S2/c15-13(16,17)27-9-1-5-11(6-2-9)29(23,24)22(21)30(25,26)12-7-3-10(4-8-12)28-14(18,19)20/h1-8H.
What are the key properties of N-fluoro-4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]sulfonylbenzenesulfonamide?
N-fluoro-4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]sulfonylbenzenesulfonamide has a molecular weight of 483.34 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]sulfonylbenzenesulfonamide is sourced from PubChem (CID 57337680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).