N-[2-(4-fluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide

C19H13F4NO5S2 — CID 166630130

IUPACN-[2-(4-fluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1Oc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H13F4NO5S2/c20-13-6-8-14(9-7-13)29-18-12-16(30(25,26)19(21,22)23)10-11-17(18)24-31(27,28)15-4-2-1-3-5-15/h1-12,24H
InChIKeyPJEOGUMNYAOSLL-UHFFFAOYSA-N
MW475.44 g/mol
LogP4.71
Rot. Bonds6

About N-[2-(4-fluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide

N-[2-(4-fluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide (PubChem CID 166630130) has the molecular formula C19H13F4NO5S2 and a molecular weight of 475.44 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
PubChem CID166630130
Molecular FormulaC19H13F4NO5S2
Molecular Weight475.44 g/mol
Exact Mass475.02
IUPAC NameN-[2-(4-fluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1Oc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H13F4NO5S2/c20-13-6-8-14(9-7-13)29-18-12-16(30(25,26)19(21,22)23)10-11-17(18)24-31(27,28)15-4-2-1-3-5-15/h1-12,24H
InChIKeyPJEOGUMNYAOSLL-UHFFFAOYSA-N
XLogP4.71
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 56593207
SLC6A19 inhibitor 39
CID 164606752
N-[2-phenoxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
CID 166626061
N-[2-(3-methoxyphenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
CID 166626417
N-[2-(4-methoxyphenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
CID 166626636
N-[2-(3-methylphenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
CID 166630381
N-[2-(3,4-dichlorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
CID 166630413
N-[2-(3,5-dimethylphenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
CID 166630449
N-[2-[4-(trifluoromethyl)phenoxy]-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
CID 166631233
N-[2-phenylmethoxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
CID 166632544
N-[2-(3,4-difluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
CID 166634940
N-[2-(3-fluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
CID 166635050

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[2-(4-fluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide (CID 166630130) is N-[2-(4-fluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1Oc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[2-(4-fluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide?
The InChIKey is PJEOGUMNYAOSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4NO5S2/c20-13-6-8-14(9-7-13)29-18-12-16(30(25,26)19(21,22)23)10-11-17(18)24-31(27,28)15-4-2-1-3-5-15/h1-12,24H.
What are the key properties of N-[2-(4-fluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide?
N-[2-(4-fluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide has a molecular weight of 475.44 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 166630130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).