5-[3-[4-methyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]thiophene-2-sulfonamide

C23H17F3N2O2S2 — CID 57469021

IUPAC5-[3-[4-methyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2cccc(-c3ccc(S(N)(=O)=O)s3)c2)c1
InChIInChI=1S/C23H17F3N2O2S2/c1-14-11-19(15-5-7-18(8-6-15)23(24,25)26)28-20(12-14)16-3-2-4-17(13-16)21-9-10-22(31-21)32(27,29)30/h2-13H,1H3,(H2,27,29,30)
InChIKeyZXNASIMPWQZUQJ-UHFFFAOYSA-N
MW474.53 g/mol
LogP6.12
Rot. Bonds4

About 5-[3-[4-methyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]thiophene-2-sulfonamide

5-[3-[4-methyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]thiophene-2-sulfonamide (PubChem CID 57469021) has the molecular formula C23H17F3N2O2S2 and a molecular weight of 474.53 g/mol. Its IUPAC name is 5-[3-[4-methyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[3-[4-methyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]thiophene-2-sulfonamide
PubChem CID57469021
Molecular FormulaC23H17F3N2O2S2
Molecular Weight474.53 g/mol
Exact Mass474.07
IUPAC Name5-[3-[4-methyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2cccc(-c3ccc(S(N)(=O)=O)s3)c2)c1
InChIInChI=1S/C23H17F3N2O2S2/c1-14-11-19(15-5-7-18(8-6-15)23(24,25)26)28-20(12-14)16-3-2-4-17(13-16)21-9-10-22(31-21)32(27,29)30/h2-13H,1H3,(H2,27,29,30)
InChIKeyZXNASIMPWQZUQJ-UHFFFAOYSA-N
XLogP6.12
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.53
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(6-Methyl-pyridin-2-yl)-benzenesulfonyl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 44447085
N-(amino(((6-(4-methylphenyl)-5-(4-(trifluoromethyl)phenyl)pyridin-3-yl)methyl)amino)methylene)thiophene-2-sulfonamide Hydrochloride
CID 134227722
3-[6'-Methyl-4'-(4-trifluoromethyl-phenyl)-[2,2']bipyridinyl-6-yl]-benzenesulfonamide
CID 24760738
2,2-difluoro-4,6,10,12-tetramethyl-8-[2-[(R)-(4-methylphenyl)sulfinyl]-5-(4-methylphenyl)sulfonylthiophen-3-yl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene
CID 139182621
8-[2,5-Bis-(4-methylphenyl)sulfonylthiophen-3-yl]-2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene
CID 139182622
2-[4-(3-Fluoro-4-methylsulfonylphenyl)thiophen-3-yl]-6-methylpyridine
CID 18183359
2-[4-(3,5-Difluoro-4-methylsulfonylphenyl)thiophen-3-yl]-6-methylpyridine
CID 22746010
5-[6-Methyl-4-(4-trifluoromethyl-phenyl)-[2,4']bipyridinyl-2'-yl]-thiophene-2-sulfonic acid amide
CID 24759870
5-[6'-Methyl-4'-(4-trifluoromethyl-phenyl)-[2,2']bipyridinyl-6-yl]-thiophene-2-sulfonic acid amide
CID 24759871
5-{2-[6-Methyl-4-(4-trifluoromethyl-phenyl)-pyridin-2-yl]-thiazol-4-yl}-thiophene-2-sulfonic acid tert-butylamide
CID 24759872
3-[6'-Methyl-4'-(3-methyl-4-trifluoromethyl-phenyl)-[2,2']bipyridinyl-6-yl]-benzenesulfonamide
CID 24760291
4-[6-[6-Methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-yl]pyridin-2-yl]benzenesulfonamide
CID 24760663

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-methyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[3-[4-methyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]thiophene-2-sulfonamide (CID 57469021) is 5-[3-[4-methyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[3-[4-methyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[3-[4-methyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]thiophene-2-sulfonamide is Cc1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2cccc(-c3ccc(S(N)(=O)=O)s3)c2)c1.
What is the InChIKey of 5-[3-[4-methyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is ZXNASIMPWQZUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O2S2/c1-14-11-19(15-5-7-18(8-6-15)23(24,25)26)28-20(12-14)16-3-2-4-17(13-16)21-9-10-22(31-21)32(27,29)30/h2-13H,1H3,(H2,27,29,30).
What are the key properties of 5-[3-[4-methyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]thiophene-2-sulfonamide?
5-[3-[4-methyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 474.53 g/mol, XLogP of 6.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-methyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 57469021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).