N-[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]methanesulfonamide

C19H14Cl2F2N2O2S2 — CID 23114712

IUPACN-[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(C(Sc2ccc(Cl)cc2)c2cc(F)ccc2F)c(Cl)cn1
InChIInChI=1S/C19H14Cl2F2N2O2S2/c1-29(26,27)25-18-9-14(16(21)10-24-18)19(15-8-12(22)4-7-17(15)23)28-13-5-2-11(20)3-6-13/h2-10,19H,1H3,(H,24,25)
InChIKeyFRTNPCZHPJOCKO-UHFFFAOYSA-N
MW475.37 g/mol
LogP5.92
Rot. Bonds6

About N-[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]methanesulfonamide

N-[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]methanesulfonamide (PubChem CID 23114712) has the molecular formula C19H14Cl2F2N2O2S2 and a molecular weight of 475.37 g/mol. Its IUPAC name is N-[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]methanesulfonamide
PubChem CID23114712
Molecular FormulaC19H14Cl2F2N2O2S2
Molecular Weight475.37 g/mol
Exact Mass473.98
IUPAC NameN-[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(C(Sc2ccc(Cl)cc2)c2cc(F)ccc2F)c(Cl)cn1
InChIInChI=1S/C19H14Cl2F2N2O2S2/c1-29(26,27)25-18-9-14(16(21)10-24-18)19(15-8-12(22)4-7-17(15)23)28-13-5-2-11(20)3-6-13/h2-10,19H,1H3,(H,24,25)
InChIKeyFRTNPCZHPJOCKO-UHFFFAOYSA-N
XLogP5.92
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.37
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]methanesulfonamide (CID 23114712) is N-[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1cc(C(Sc2ccc(Cl)cc2)c2cc(F)ccc2F)c(Cl)cn1.
What is the InChIKey of N-[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]methanesulfonamide?
The InChIKey is FRTNPCZHPJOCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2F2N2O2S2/c1-29(26,27)25-18-9-14(16(21)10-24-18)19(15-8-12(22)4-7-17(15)23)28-13-5-2-11(20)3-6-13/h2-10,19H,1H3,(H,24,25).
What are the key properties of N-[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]methanesulfonamide?
N-[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]methanesulfonamide has a molecular weight of 475.37 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 23114712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).