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

C24H18F3N3O2S — CID 57469012

IUPAC5-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]pyridine-3-sulfonamide
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(-c3cncc(S(N)(=O)=O)c3)c2)n1
InChIInChI=1S/C24H18F3N3O2S/c1-15-9-19(16-5-7-21(8-6-16)24(25,26)27)12-23(30-15)18-4-2-3-17(10-18)20-11-22(14-29-13-20)33(28,31)32/h2-14H,1H3,(H2,28,31,32)
InChIKeySDZLCOGPBIWRRP-UHFFFAOYSA-N
MW469.49 g/mol
LogP5.45
Rot. Bonds4

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

5-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]pyridine-3-sulfonamide (PubChem CID 57469012) has the molecular formula C24H18F3N3O2S and a molecular weight of 469.49 g/mol. Its IUPAC name is 5-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]pyridine-3-sulfonamide
PubChem CID57469012
Molecular FormulaC24H18F3N3O2S
Molecular Weight469.49 g/mol
Exact Mass469.11
IUPAC Name5-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]pyridine-3-sulfonamide
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(-c3cncc(S(N)(=O)=O)c3)c2)n1
InChIInChI=1S/C24H18F3N3O2S/c1-15-9-19(16-5-7-21(8-6-16)24(25,26)27)12-23(30-15)18-4-2-3-17(10-18)20-11-22(14-29-13-20)33(28,31)32/h2-14H,1H3,(H2,28,31,32)
InChIKeySDZLCOGPBIWRRP-UHFFFAOYSA-N
XLogP5.45
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.49
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Vonoprazan
CID 15981397
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5-Isopropyl-2-methyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 747990
7-methyl-N-(2-pyridinylmethyl)-2-naphthalenesulfonamide
CID 769963
8-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)quinoline
CID 2870276
3-(4-Methanesulfonyl-phenyl)-5-methyl-[2,3'']bipyridinyl
CID 9967049
N-(3-(6-(pyridin-4-ylmethyl)quinolin-8-yl)phenyl)benzenesulfonamide
CID 10195164
3-(4-Methanesulfonyl-phenyl)-5-trifluoromethyl-[2,3'']bipyridinyl
CID 10199643
4'',5''-Difluoro-2''-(6-methyl-pyridin-3-yl)-biphenyl-4-sulfonic acid amide
CID 10713528
4'',5''-Difluoro-2''-(5-methyl-pyridin-2-yl)-biphenyl-4-sulfonic acid amide
CID 10784741
1-[5-(2-fluoro-3-pyridinyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine
CID 16045147
9-trifluoromethyl-5H-6-thia-4,5-diaza-chrysene 6,6-dioxide
CID 16759909

Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]pyridine-3-sulfonamide?
The IUPAC name of 5-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]pyridine-3-sulfonamide (CID 57469012) is 5-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]pyridine-3-sulfonamide is Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(-c3cncc(S(N)(=O)=O)c3)c2)n1.
What is the InChIKey of 5-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]pyridine-3-sulfonamide?
The InChIKey is SDZLCOGPBIWRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O2S/c1-15-9-19(16-5-7-21(8-6-16)24(25,26)27)12-23(30-15)18-4-2-3-17(10-18)20-11-22(14-29-13-20)33(28,31)32/h2-14H,1H3,(H2,28,31,32).
What are the key properties of 5-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]pyridine-3-sulfonamide?
5-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]pyridine-3-sulfonamide has a molecular weight of 469.49 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 57469012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).