N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide

C20H16F3NO3S — CID 166627714

IUPACN-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16F3NO3S/c21-20(22,23)16-6-12-19(13-7-16)28(25,26)24-17-8-10-18(11-9-17)27-14-15-4-2-1-3-5-15/h1-13,24H,14H2
InChIKeyBVVLBNHUDGFSRX-UHFFFAOYSA-N
MW407.41 g/mol
LogP5.09
Rot. Bonds6

About N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide

N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 166627714) has the molecular formula C20H16F3NO3S and a molecular weight of 407.41 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID166627714
Molecular FormulaC20H16F3NO3S
Molecular Weight407.41 g/mol
Exact Mass407.08
IUPAC NameN-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16F3NO3S/c21-20(22,23)16-6-12-19(13-7-16)28(25,26)24-17-8-10-18(11-9-17)27-14-15-4-2-1-3-5-15/h1-13,24H,14H2
InChIKeyBVVLBNHUDGFSRX-UHFFFAOYSA-N
XLogP5.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.41
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 3334756
N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)aniline
CID 23393373
4-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 1379163
6-chloro-N-(4-phenylmethoxyphenyl)pyridine-3-sulfonamide
CID 26951357
(E)-3-[4-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 2554303
1-phenylmethoxy-4-(trifluoromethyl)benzene;4-(trifluoromethyl)phenol
CID 159669707
N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 10311292
3-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 2887128
N-(phenoxymethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 70132879
2-chloro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 45369229
N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide
CID 70194773
1-(4-phenylmethoxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 3514022

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide (CID 166627714) is N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is BVVLBNHUDGFSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO3S/c21-20(22,23)16-6-12-19(13-7-16)28(25,26)24-17-8-10-18(11-9-17)27-14-15-4-2-1-3-5-15/h1-13,24H,14H2.
What are the key properties of N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide?
N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 407.41 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 166627714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).