4-chloro-N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

C19H12Cl2F3N3O3S — CID 11554943

IUPAC4-chloro-N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ncccc1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H12Cl2F3N3O3S/c1-10-13(3-2-6-25-10)18(28)17-16(7-11(20)9-26-17)27-31(29,30)12-4-5-15(21)14(8-12)19(22,23)24/h2-9,27H,1H3
InChIKeyUFCUZLNVMJHMIM-UHFFFAOYSA-N
MW490.29 g/mol
LogP5.14
Rot. Bonds5

About 4-chloro-N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 11554943) has the molecular formula C19H12Cl2F3N3O3S and a molecular weight of 490.29 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID11554943
Molecular FormulaC19H12Cl2F3N3O3S
Molecular Weight490.29 g/mol
Exact Mass488.99
IUPAC Name4-chloro-N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ncccc1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H12Cl2F3N3O3S/c1-10-13(3-2-6-25-10)18(28)17-16(7-11(20)9-26-17)27-31(29,30)12-4-5-15(21)14(8-12)19(22,23)24/h2-9,27H,1H3
InChIKeyUFCUZLNVMJHMIM-UHFFFAOYSA-N
XLogP5.14
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.29
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (CID 11554943) is 4-chloro-N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is Cc1ncccc1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is UFCUZLNVMJHMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2F3N3O3S/c1-10-13(3-2-6-25-10)18(28)17-16(7-11(20)9-26-17)27-31(29,30)12-4-5-15(21)14(8-12)19(22,23)24/h2-9,27H,1H3.
What are the key properties of 4-chloro-N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 490.29 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 11554943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).