4-methyl-N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide

C26H20F3NO3S — CID 169370979

IUPAC4-methyl-N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C26H20F3NO3S/c1-18-7-14-23(15-8-18)34(31,32)30-24-17-21(26(27,28)29)11-16-25(24)33-22-12-9-20(10-13-22)19-5-3-2-4-6-19/h2-17,30H,1H3
InChIKeyCTIPXGOEDSHNDQ-UHFFFAOYSA-N
MW483.51 g/mol
LogP7.27
Rot. Bonds6

About 4-methyl-N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide

4-methyl-N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 169370979) has the molecular formula C26H20F3NO3S and a molecular weight of 483.51 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID169370979
Molecular FormulaC26H20F3NO3S
Molecular Weight483.51 g/mol
Exact Mass483.11
IUPAC Name4-methyl-N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C26H20F3NO3S/c1-18-7-14-23(15-8-18)34(31,32)30-24-17-21(26(27,28)29)11-16-25(24)33-22-12-9-20(10-13-22)19-5-3-2-4-6-19/h2-17,30H,1H3
InChIKeyCTIPXGOEDSHNDQ-UHFFFAOYSA-N
XLogP7.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.51
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-naphthalen-2-yloxy-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 169373057
N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]formamide
CID 168654060
4-chloro-N-[2-(4-chloro-3,5-dimethylphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2797539
4-methyl-N-[2-methyl-4-[4-(trifluoromethyl)phenoxy]phenyl]benzenesulfonamide
CID 169372712
N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-methylbenzenesulfonamide
CID 169370059
4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3463733
N-[5-bromo-2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]phenyl]-4-methylbenzenesulfonamide
CID 169373188
2-[2-(naphthalen-2-ylsulfonylamino)-4-(trifluoromethyl)phenoxy]benzoic acid
CID 15347466
N-[2-bromo-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 68679977
4-methyl-N-[2-(2,2,2-trifluoroethylamino)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 169371397
N-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4,5-difluorophenyl]-4-methylbenzenesulfonamide
CID 169373189
4-phenoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3478087

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide (CID 169370979) is 4-methyl-N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is CTIPXGOEDSHNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3NO3S/c1-18-7-14-23(15-8-18)34(31,32)30-24-17-21(26(27,28)29)11-16-25(24)33-22-12-9-20(10-13-22)19-5-3-2-4-6-19/h2-17,30H,1H3.
What are the key properties of 4-methyl-N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide?
4-methyl-N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 483.51 g/mol, XLogP of 7.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 169370979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).