N-[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-4-methylpiperidine-1-sulfonamide

C24H23Cl2F2N3O4S2 — CID 23114593

IUPACN-[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)Nc2cc(C(c3cc(F)ccc3F)S(=O)(=O)c3ccc(Cl)cc3)c(Cl)cn2)CC1
InChIInChI=1S/C24H23Cl2F2N3O4S2/c1-15-8-10-31(11-9-15)37(34,35)30-23-13-19(21(26)14-29-23)24(20-12-17(27)4-7-22(20)28)36(32,33)18-5-2-16(25)3-6-18/h2-7,12-15,24H,8-11H2,1H3,(H,29,30)
InChIKeyYXCQYBJNQOSEEG-UHFFFAOYSA-N
MW590.50 g/mol
LogP5.62
Rot. Bonds7

About N-[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-4-methylpiperidine-1-sulfonamide

N-[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-4-methylpiperidine-1-sulfonamide (PubChem CID 23114593) has the molecular formula C24H23Cl2F2N3O4S2 and a molecular weight of 590.50 g/mol. Its IUPAC name is N-[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-4-methylpiperidine-1-sulfonamide
PubChem CID23114593
Molecular FormulaC24H23Cl2F2N3O4S2
Molecular Weight590.50 g/mol
Exact Mass589.05
IUPAC NameN-[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)Nc2cc(C(c3cc(F)ccc3F)S(=O)(=O)c3ccc(Cl)cc3)c(Cl)cn2)CC1
InChIInChI=1S/C24H23Cl2F2N3O4S2/c1-15-8-10-31(11-9-15)37(34,35)30-23-13-19(21(26)14-29-23)24(20-12-17(27)4-7-22(20)28)36(32,33)18-5-2-16(25)3-6-18/h2-7,12-15,24H,8-11H2,1H3,(H,29,30)
InChIKeyYXCQYBJNQOSEEG-UHFFFAOYSA-N
XLogP5.62
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.50
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-4-methylpiperidine-1-sulfonamide with MolForge

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Related Compounds

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-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methylpyridine
CID 23114561
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine
CID 697831
2,5-dichloro-4-[(4-chlorophenyl)sulfonyl-(2-fluoro-5-isocyanophenyl)methyl]pyridine
CID 58734254
N-(5-amino-2-pyridinyl)-4-methylpiperidine-1-sulfonamide
CID 43144684
N-(2-amino-5-fluorophenyl)-4-methylpiperidine-1-sulfonamide
CID 63257526
tert-butyl N-[2-[[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-methylamino]ethyl]-N-methylcarbamate
CID 59750733
2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-[(dimethylsulfamoylamino)methyl]pyridine
CID 59750939
2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-(piperidin-1-ylmethyl)pyridine
CID 23114800
ethyl 2-[[5-chloro-3-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]sulfamoyl]acetate
CID 140509497
2-[(4-chlorophenyl)sulfonyl-cyclopentylmethyl]-1,4-difluorobenzene
CID 59769784

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-4-methylpiperidine-1-sulfonamide (CID 23114593) is N-[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)Nc2cc(C(c3cc(F)ccc3F)S(=O)(=O)c3ccc(Cl)cc3)c(Cl)cn2)CC1.
What is the InChIKey of N-[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-4-methylpiperidine-1-sulfonamide?
The InChIKey is YXCQYBJNQOSEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2F2N3O4S2/c1-15-8-10-31(11-9-15)37(34,35)30-23-13-19(21(26)14-29-23)24(20-12-17(27)4-7-22(20)28)36(32,33)18-5-2-16(25)3-6-18/h2-7,12-15,24H,8-11H2,1H3,(H,29,30).
What are the key properties of N-[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-4-methylpiperidine-1-sulfonamide?
N-[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-4-methylpiperidine-1-sulfonamide has a molecular weight of 590.50 g/mol, XLogP of 5.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 23114593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).