2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-[(dimethylsulfamoylamino)methyl]pyridine

C21H20ClF2N3O4S2 — CID 59750939

IUPAC2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-[(dimethylsulfamoylamino)methyl]pyridine
SMILESCN(C)S(=O)(=O)NCc1ccc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)nc1
InChIInChI=1S/C21H20ClF2N3O4S2/c1-27(2)33(30,31)26-13-14-3-10-20(25-12-14)21(18-11-16(23)6-9-19(18)24)32(28,29)17-7-4-15(22)5-8-17/h3-12,21,26H,13H2,1-2H3
InChIKeyGJFHJFIDNHYYOH-UHFFFAOYSA-N
MW515.99 g/mol
LogP3.47
Rot. Bonds8

About 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-[(dimethylsulfamoylamino)methyl]pyridine

2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-[(dimethylsulfamoylamino)methyl]pyridine (PubChem CID 59750939) has the molecular formula C21H20ClF2N3O4S2 and a molecular weight of 515.99 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-[(dimethylsulfamoylamino)methyl]pyridine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-[(dimethylsulfamoylamino)methyl]pyridine
PubChem CID59750939
Molecular FormulaC21H20ClF2N3O4S2
Molecular Weight515.99 g/mol
Exact Mass515.06
IUPAC Name2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-[(dimethylsulfamoylamino)methyl]pyridine
SMILESCN(C)S(=O)(=O)NCc1ccc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)nc1
InChIInChI=1S/C21H20ClF2N3O4S2/c1-27(2)33(30,31)26-13-14-3-10-20(25-12-14)21(18-11-16(23)6-9-19(18)24)32(28,29)17-7-4-15(22)5-8-17/h3-12,21,26H,13H2,1-2H3
InChIKeyGJFHJFIDNHYYOH-UHFFFAOYSA-N
XLogP3.47
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.99
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methylpyridine
CID 23114561
2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-(piperidin-1-ylmethyl)pyridine
CID 23114800
N-[2-[[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]pyridine-3-carbonyl]amino]ethyl]carbamate
CID 23114844
N-[2-[[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]pyridine-3-carbothioyl]amino]ethyl]carbamate
CID 23114568
6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-methylsulfanylpyridine-3-carboxamide
CID 174500756
[6-[[(4-chlorophenyl)-methylidene-oxo-λ6-sulfanyl]-(2,5-difluorophenyl)methyl]-3-pyridinyl]methanamine
CID 142260407
1-(4-chlorophenyl)-4-[(dimethylsulfamoylamino)methyl]benzene
CID 110443542
5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-[2-(dimethylamino)ethylsulfanyl]pyridin-2-amine
CID 142980689
N-(2-aminoethyl)-6-[(2,5-difluorophenyl)-(4-methylphenyl)sulfonylmethyl]pyridine-3-carbothioamide
CID 142980731
2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)-N,N-dimethylethanamine
CID 16681305
5-[(dimethylsulfamoylamino)methyl]-2-methylpyridine
CID 47215825
ethyl 2-[[5-chloro-3-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]sulfamoyl]acetate
CID 140509497

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-[(dimethylsulfamoylamino)methyl]pyridine?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-[(dimethylsulfamoylamino)methyl]pyridine (CID 59750939) is 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-[(dimethylsulfamoylamino)methyl]pyridine.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-[(dimethylsulfamoylamino)methyl]pyridine?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-[(dimethylsulfamoylamino)methyl]pyridine is CN(C)S(=O)(=O)NCc1ccc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)nc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-[(dimethylsulfamoylamino)methyl]pyridine?
The InChIKey is GJFHJFIDNHYYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF2N3O4S2/c1-27(2)33(30,31)26-13-14-3-10-20(25-12-14)21(18-11-16(23)6-9-19(18)24)32(28,29)17-7-4-15(22)5-8-17/h3-12,21,26H,13H2,1-2H3.
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-[(dimethylsulfamoylamino)methyl]pyridine?
2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-[(dimethylsulfamoylamino)methyl]pyridine has a molecular weight of 515.99 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-[(dimethylsulfamoylamino)methyl]pyridine is sourced from PubChem (CID 59750939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).