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

C19H11Cl3F3N3O3S — CID 11613372

IUPAC4-chloro-N-[5-chloro-2-(5-chloro-2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ncc(Cl)cc1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H11Cl3F3N3O3S/c1-9-13(4-10(20)7-26-9)18(29)17-16(5-11(21)8-27-17)28-32(30,31)12-2-3-15(22)14(6-12)19(23,24)25/h2-8,28H,1H3
InChIKeyHJMUUTDZABQQNJ-UHFFFAOYSA-N
MW524.74 g/mol
LogP5.80
Rot. Bonds5

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

4-chloro-N-[5-chloro-2-(5-chloro-2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 11613372) has the molecular formula C19H11Cl3F3N3O3S and a molecular weight of 524.74 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-(5-chloro-2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[5-chloro-2-(5-chloro-2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID11613372
Molecular FormulaC19H11Cl3F3N3O3S
Molecular Weight524.74 g/mol
Exact Mass522.95
IUPAC Name4-chloro-N-[5-chloro-2-(5-chloro-2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ncc(Cl)cc1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H11Cl3F3N3O3S/c1-9-13(4-10(20)7-26-9)18(29)17-16(5-11(21)8-27-17)28-32(30,31)12-2-3-15(22)14(6-12)19(23,24)25/h2-8,28H,1H3
InChIKeyHJMUUTDZABQQNJ-UHFFFAOYSA-N
XLogP5.80
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.74
LogP ≤ 55.80
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-(5-chloro-2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[5-chloro-2-(5-chloro-2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (CID 11613372) is 4-chloro-N-[5-chloro-2-(5-chloro-2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[5-chloro-2-(5-chloro-2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[5-chloro-2-(5-chloro-2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is Cc1ncc(Cl)cc1C(=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-(5-chloro-2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HJMUUTDZABQQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl3F3N3O3S/c1-9-13(4-10(20)7-26-9)18(29)17-16(5-11(21)8-27-17)28-32(30,31)12-2-3-15(22)14(6-12)19(23,24)25/h2-8,28H,1H3.
What are the key properties of 4-chloro-N-[5-chloro-2-(5-chloro-2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[5-chloro-2-(5-chloro-2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 524.74 g/mol, XLogP of 5.80, 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-(5-chloro-2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 11613372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).