2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(1-methylpyrrolidin-3-yl)benzamide

C23H21Cl3N4O4S — CID 59849960

IUPAC2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(1-methylpyrrolidin-3-yl)benzamide
SMILESCN1CCC(NC(=O)c2ccccc2Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C23H21Cl3N4O4S/c1-30-9-8-15(13-30)28-22(31)17-4-2-3-5-21(17)34-23-20(10-14(24)12-27-23)29-35(32,33)16-6-7-18(25)19(26)11-16/h2-7,10-12,15,29H,8-9,13H2,1H3,(H,28,31)
InChIKeyAURXYDBMKDVGJG-UHFFFAOYSA-N
MW555.87 g/mol
LogP5.07
Rot. Bonds7

About 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(1-methylpyrrolidin-3-yl)benzamide

2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(1-methylpyrrolidin-3-yl)benzamide (PubChem CID 59849960) has the molecular formula C23H21Cl3N4O4S and a molecular weight of 555.87 g/mol. Its IUPAC name is 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(1-methylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(1-methylpyrrolidin-3-yl)benzamide
PubChem CID59849960
Molecular FormulaC23H21Cl3N4O4S
Molecular Weight555.87 g/mol
Exact Mass554.03
IUPAC Name2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(1-methylpyrrolidin-3-yl)benzamide
SMILESCN1CCC(NC(=O)c2ccccc2Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C23H21Cl3N4O4S/c1-30-9-8-15(13-30)28-22(31)17-4-2-3-5-21(17)34-23-20(10-14(24)12-27-23)29-35(32,33)16-6-7-18(25)19(26)11-16/h2-7,10-12,15,29H,8-9,13H2,1H3,(H,28,31)
InChIKeyAURXYDBMKDVGJG-UHFFFAOYSA-N
XLogP5.07
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.87
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide
CID 59850007
2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 59849946
methyl 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-6-fluorobenzoate
CID 59849998
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]benzamide
CID 59849824
3,4-dichloro-N-[5-chloro-2-[4-[(2-cyclopentylethylamino)methyl]phenoxy]-3-pyridinyl]benzenesulfonamide
CID 59849845
5-amino-2-chloro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949514
3,4-dichloro-N-[5-chloro-2-[4-[(2-piperidin-1-ylethylamino)methyl]phenoxy]-3-pyridinyl]benzenesulfonamide
CID 59849818
3,4-dichloro-N-[5-chloro-2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]benzenesulfonamide
CID 71190450
3,4-dichloro-N-[2-(3-methylpyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 86878824
N-[2-(2-aminobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide
CID 58268290
N-[1-[[4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyl]pyrrolidin-3-yl]acetamide
CID 143400006
3-chloro-2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide
CID 96583038

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(1-methylpyrrolidin-3-yl)benzamide?
The IUPAC name of 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(1-methylpyrrolidin-3-yl)benzamide (CID 59849960) is 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(1-methylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(1-methylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(1-methylpyrrolidin-3-yl)benzamide is CN1CCC(NC(=O)c2ccccc2Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(1-methylpyrrolidin-3-yl)benzamide?
The InChIKey is AURXYDBMKDVGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl3N4O4S/c1-30-9-8-15(13-30)28-22(31)17-4-2-3-5-21(17)34-23-20(10-14(24)12-27-23)29-35(32,33)16-6-7-18(25)19(26)11-16/h2-7,10-12,15,29H,8-9,13H2,1H3,(H,28,31).
What are the key properties of 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(1-methylpyrrolidin-3-yl)benzamide?
2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(1-methylpyrrolidin-3-yl)benzamide has a molecular weight of 555.87 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(1-methylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 59849960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).