4-chloro-N-(5-chloro-2-pyridin-4-ylsulfanyl-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide

C17H10Cl2F3N3O2S2 — CID 11583838

IUPAC4-chloro-N-(5-chloro-2-pyridin-4-ylsulfanyl-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cnc1Sc1ccncc1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H10Cl2F3N3O2S2/c18-10-7-15(16(24-9-10)28-11-3-5-23-6-4-11)25-29(26,27)12-1-2-14(19)13(8-12)17(20,21)22/h1-9,25H
InChIKeyFDWQHEFXKIDGJQ-UHFFFAOYSA-N
MW480.32 g/mol
LogP5.75
Rot. Bonds5

About 4-chloro-N-(5-chloro-2-pyridin-4-ylsulfanyl-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-(5-chloro-2-pyridin-4-ylsulfanyl-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 11583838) has the molecular formula C17H10Cl2F3N3O2S2 and a molecular weight of 480.32 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-2-pyridin-4-ylsulfanyl-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-2-pyridin-4-ylsulfanyl-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID11583838
Molecular FormulaC17H10Cl2F3N3O2S2
Molecular Weight480.32 g/mol
Exact Mass478.95
IUPAC Name4-chloro-N-(5-chloro-2-pyridin-4-ylsulfanyl-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cnc1Sc1ccncc1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H10Cl2F3N3O2S2/c18-10-7-15(16(24-9-10)28-11-3-5-23-6-4-11)25-29(26,27)12-1-2-14(19)13(8-12)17(20,21)22/h1-9,25H
InChIKeyFDWQHEFXKIDGJQ-UHFFFAOYSA-N
XLogP5.75
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.32
LogP ≤ 55.75
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-pyridin-4-ylsulfanyl-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(5-chloro-2-pyridin-4-ylsulfanyl-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide (CID 11583838) is 4-chloro-N-(5-chloro-2-pyridin-4-ylsulfanyl-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(5-chloro-2-pyridin-4-ylsulfanyl-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(5-chloro-2-pyridin-4-ylsulfanyl-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cc(Cl)cnc1Sc1ccncc1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-(5-chloro-2-pyridin-4-ylsulfanyl-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FDWQHEFXKIDGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F3N3O2S2/c18-10-7-15(16(24-9-10)28-11-3-5-23-6-4-11)25-29(26,27)12-1-2-14(19)13(8-12)17(20,21)22/h1-9,25H.
What are the key properties of 4-chloro-N-(5-chloro-2-pyridin-4-ylsulfanyl-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-(5-chloro-2-pyridin-4-ylsulfanyl-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 480.32 g/mol, XLogP of 5.75, 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-pyridin-4-ylsulfanyl-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 11583838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).