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

C20H16F3NO5S2 — CID 166632544

IUPACN-[2-phenylmethoxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1OCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H16F3NO5S2/c21-20(22,23)30(25,26)17-11-12-18(24-31(27,28)16-9-5-2-6-10-16)19(13-17)29-14-15-7-3-1-4-8-15/h1-13,24H,14H2
InChIKeyPHXKIPAHWSWKQP-UHFFFAOYSA-N
MW471.48 g/mol
LogP4.36
Rot. Bonds7

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

N-[2-phenylmethoxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide (PubChem CID 166632544) has the molecular formula C20H16F3NO5S2 and a molecular weight of 471.48 g/mol. Its IUPAC name is N-[2-phenylmethoxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-phenylmethoxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
PubChem CID166632544
Molecular FormulaC20H16F3NO5S2
Molecular Weight471.48 g/mol
Exact Mass471.04
IUPAC NameN-[2-phenylmethoxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1OCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H16F3NO5S2/c21-20(22,23)30(25,26)17-11-12-18(24-31(27,28)16-9-5-2-6-10-16)19(13-17)29-14-15-7-3-1-4-8-15/h1-13,24H,14H2
InChIKeyPHXKIPAHWSWKQP-UHFFFAOYSA-N
XLogP4.36
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 799154
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-(4-fluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
CID 166630130
N-[2-(3-methylphenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
CID 166630381
N-[2-(3,5-dimethylphenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
CID 166630449
N-[2-[4-(trifluoromethyl)phenoxy]-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
CID 166631233
N-[2-(3,4-difluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
CID 166634940
N-[2-(3-fluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
CID 166635050
N-[2-(3-fluoro-5-methoxyphenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
CID 166635866

Frequently Asked Questions

What is the IUPAC name of N-[2-phenylmethoxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[2-phenylmethoxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide (CID 166632544) is N-[2-phenylmethoxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-phenylmethoxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-phenylmethoxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1OCc1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-phenylmethoxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide?
The InChIKey is PHXKIPAHWSWKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO5S2/c21-20(22,23)30(25,26)17-11-12-18(24-31(27,28)16-9-5-2-6-10-16)19(13-17)29-14-15-7-3-1-4-8-15/h1-13,24H,14H2.
What are the key properties of N-[2-phenylmethoxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide?
N-[2-phenylmethoxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide has a molecular weight of 471.48 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-phenylmethoxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 166632544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).