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

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Related Compounds

3-[[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]amino]-2,2-dimethylpropan-1-ol
CID 23114783
2-[[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-methylamino]ethyl-methylcarbamic acid
CID 69204669
1-[5-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-4-methyl-2-pyridinyl]propan-1-one
CID 71146185
N-[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-4-methylpiperidine-1-sulfonamide
CID 23114593
ethyl 2-[[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]sulfamoyl]acetate
CID 58734245
5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-[2-(dimethylamino)ethylsulfanyl]pyridin-2-amine
CID 142980689
2-chloro-4-[(2,5-difluorophenyl)-(4-fluorophenyl)sulfanylmethyl]pyridine
CID 150986572
2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methylpyridine
CID 23114561
N-[6-(3-fluoroanilino)-3-pyridinyl]methanesulfonamide
CID 113021324
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]methanesulfonamide
CID 113012323
1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine
CID 43286131
(1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol
CID 78952064

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).