6-chloro-2-(2-methylphenyl)-3-(trifluoromethyl)pyridine;ethane;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride

C43H36Cl2F9N7O6S3 — CID 159101446

IUPAC6-chloro-2-(2-methylphenyl)-3-(trifluoromethyl)pyridine;ethane;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride
SMILESCC.Cc1ccccc1-c1nc(Cl)ccc1C(F)(F)F.Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1C(F)(F)F.NS(=O)(=O)c1cccc(F)n1.O=S(=O)(Cl)c1cccc(F)n1
InChIInChI=1S/C18H13F4N3O2S.C13H9ClF3N.C5H3ClFNO2S.C5H5FN2O2S.C2H6/c1-11-5-2-3-6-12(11)17-13(18(20,21)22)9-10-15(24-17)25-28(26,27)16-8-4-7-14(19)23-16;1-8-4-2-3-5-9(8)12-10(13(15,16)17)6-7-11(14)18-12;6-11(9,10)5-3-1-2-4(7)8-5;6-4-2-1-3-5(8-4)11(7,9)10;1-2/h2-10H,1H3,(H,24,25);2-7H,1H3;1-3H;1-3H,(H2,7,9,10);1-2H3
InChIKeyKDIJHPREKSJMLU-UHFFFAOYSA-N
MW1084.89 g/mol
LogP11.18
Rot. Bonds7

About 6-chloro-2-(2-methylphenyl)-3-(trifluoromethyl)pyridine;ethane;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride

6-chloro-2-(2-methylphenyl)-3-(trifluoromethyl)pyridine;ethane;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride (PubChem CID 159101446) has the molecular formula C43H36Cl2F9N7O6S3 and a molecular weight of 1084.89 g/mol. Its IUPAC name is 6-chloro-2-(2-methylphenyl)-3-(trifluoromethyl)pyridine;ethane;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name6-chloro-2-(2-methylphenyl)-3-(trifluoromethyl)pyridine;ethane;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride
PubChem CID159101446
Molecular FormulaC43H36Cl2F9N7O6S3
Molecular Weight1084.89 g/mol
Exact Mass1083.11
IUPAC Name6-chloro-2-(2-methylphenyl)-3-(trifluoromethyl)pyridine;ethane;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride
SMILESCC.Cc1ccccc1-c1nc(Cl)ccc1C(F)(F)F.Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1C(F)(F)F.NS(=O)(=O)c1cccc(F)n1.O=S(=O)(Cl)c1cccc(F)n1
InChIInChI=1S/C18H13F4N3O2S.C13H9ClF3N.C5H3ClFNO2S.C5H5FN2O2S.C2H6/c1-11-5-2-3-6-12(11)17-13(18(20,21)22)9-10-15(24-17)25-28(26,27)16-8-4-7-14(19)23-16;1-8-4-2-3-5-9(8)12-10(13(15,16)17)6-7-11(14)18-12;6-11(9,10)5-3-1-2-4(7)8-5;6-4-2-1-3-5(8-4)11(7,9)10;1-2/h2-10H,1H3,(H,24,25);2-7H,1H3;1-3H;1-3H,(H2,7,9,10);1-2H3
InChIKeyKDIJHPREKSJMLU-UHFFFAOYSA-N
XLogP11.18
TPSA204.92 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001084.89
LogP ≤ 511.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-2-(2-methylphenyl)-3-(trifluoromethyl)pyridine;ethane;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride with MolForge

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Related Compounds

6-amino-N-[5-chloro-6-(2,6-dimethylphenyl)-4-(trifluoromethyl)pyridin-2-yl]pyridine-2-sulfonamide
CID 134306369
6-amino-N-[5-chloro-6-(2-methylphenyl)-2-pyridinyl]-3-fluoropyridine-2-sulfonamide
CID 134306384
6-amino-N-[5-chloro-6-[2-methyl-6-(trifluoromethyl)phenyl]pyridin-2-yl]pyridine-2-sulfonamide
CID 134306408
6-amino-N-[5-chloro-6-(2,6-difluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 134306423
6-amino-N-[5-chloro-6-(2-fluoro-6-methylphenyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 134306433
6-amino-N-[5-chloro-6-(2-fluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 134306438
6-amino-N-[5-chloro-6-(2,3,6-trifluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 134306449
6-amino-N-[5-chloro-6-(2-chloro-6-fluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 134306466
6-amino-N-[5-chloro-6-[2-(difluoromethyl)phenyl]pyridin-2-yl]pyridine-2-sulfonamide
CID 134306507
6-amino-N-[5-chloro-6-[2-chloro-6-(trifluoromethyl)phenyl]pyridin-2-yl]pyridine-2-sulfonamide
CID 134306511
6-amino-N-[5-chloro-6-[4-(trifluoromethyl)phenyl]pyridin-2-yl]pyridine-2-sulfonamide
CID 134306524
6-amino-N-[6-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)pyridin-2-yl]pyridine-2-sulfonamide
CID 134306543

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-methylphenyl)-3-(trifluoromethyl)pyridine;ethane;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride?
The IUPAC name of 6-chloro-2-(2-methylphenyl)-3-(trifluoromethyl)pyridine;ethane;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride (CID 159101446) is 6-chloro-2-(2-methylphenyl)-3-(trifluoromethyl)pyridine;ethane;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride.
What is the SMILES notation for 6-chloro-2-(2-methylphenyl)-3-(trifluoromethyl)pyridine;ethane;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride?
The canonical SMILES for 6-chloro-2-(2-methylphenyl)-3-(trifluoromethyl)pyridine;ethane;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride is CC.Cc1ccccc1-c1nc(Cl)ccc1C(F)(F)F.Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1C(F)(F)F.NS(=O)(=O)c1cccc(F)n1.O=S(=O)(Cl)c1cccc(F)n1.
What is the InChIKey of 6-chloro-2-(2-methylphenyl)-3-(trifluoromethyl)pyridine;ethane;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride?
The InChIKey is KDIJHPREKSJMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3O2S.C13H9ClF3N.C5H3ClFNO2S.C5H5FN2O2S.C2H6/c1-11-5-2-3-6-12(11)17-13(18(20,21)22)9-10-15(24-17)25-28(26,27)16-8-4-7-14(19)23-16;1-8-4-2-3-5-9(8)12-10(13(15,16)17)6-7-11(14)18-12;6-11(9,10)5-3-1-2-4(7)8-5;6-4-2-1-3-5(8-4)11(7,9)10;1-2/h2-10H,1H3,(H,24,25);2-7H,1H3;1-3H;1-3H,(H2,7,9,10);1-2H3.
What are the key properties of 6-chloro-2-(2-methylphenyl)-3-(trifluoromethyl)pyridine;ethane;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride?
6-chloro-2-(2-methylphenyl)-3-(trifluoromethyl)pyridine;ethane;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride has a molecular weight of 1084.89 g/mol, XLogP of 11.18, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-methylphenyl)-3-(trifluoromethyl)pyridine;ethane;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride is sourced from PubChem (CID 159101446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).