5-[(5-chloro-3-pyridinyl)oxy]-2-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide

C20H16Cl3N3O4S — CID 59066721

IUPAC5-[(5-chloro-3-pyridinyl)oxy]-2-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1cc(Oc2cncc(Cl)c2)ccc1NS(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H16Cl3N3O4S/c1-2-25-20(27)16-9-14(30-15-7-13(22)10-24-11-15)4-5-18(16)26-31(28,29)19-6-3-12(21)8-17(19)23/h3-11,26H,2H2,1H3,(H,25,27)
InChIKeyFCYRYLIZAZGKCS-UHFFFAOYSA-N
MW500.79 g/mol
LogP5.38
Rot. Bonds7

About 5-[(5-chloro-3-pyridinyl)oxy]-2-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide

5-[(5-chloro-3-pyridinyl)oxy]-2-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide (PubChem CID 59066721) has the molecular formula C20H16Cl3N3O4S and a molecular weight of 500.79 g/mol. Its IUPAC name is 5-[(5-chloro-3-pyridinyl)oxy]-2-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide.

Molecular Properties

Compound Name5-[(5-chloro-3-pyridinyl)oxy]-2-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide
PubChem CID59066721
Molecular FormulaC20H16Cl3N3O4S
Molecular Weight500.79 g/mol
Exact Mass498.99
IUPAC Name5-[(5-chloro-3-pyridinyl)oxy]-2-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1cc(Oc2cncc(Cl)c2)ccc1NS(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H16Cl3N3O4S/c1-2-25-20(27)16-9-14(30-15-7-13(22)10-24-11-15)4-5-18(16)26-31(28,29)19-6-3-12(21)8-17(19)23/h3-11,26H,2H2,1H3,(H,25,27)
InChIKeyFCYRYLIZAZGKCS-UHFFFAOYSA-N
XLogP5.38
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.79
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-chloro-3-pyridinyl)oxy]-5-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide
CID 71525044
5-[(5-chloro-3-pyridinyl)oxy]-2-[(2,4-dichloro-5-methylphenyl)sulfonylamino]benzamide
CID 69150759
2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide;2,4-dichloro-N-[3,5-dichloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide
CID 158112111
N-(4-chlorophenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]-5-phenoxybenzamide
CID 11519607
2-chloro-N-[[4-[(2,4-dichlorophenyl)sulfonylamino]naphthalen-1-yl]methyl]-4-propan-2-yloxybenzamide
CID 25051853
3-[(2,4-dichlorophenyl)sulfonylamino]-4-[2,6-dimethoxy-4-(2-oxopropyl)phenoxy]-N-ethylbenzamide
CID 70999833
2-[4-[2-[(2,4-dichlorophenyl)sulfonylamino]-4-(ethylcarbamoyl)phenyl]sulfonylphenyl]acetic acid
CID 59644684
N-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2-ethoxybenzenesulfonamide
CID 69201104
N-[2-bromo-4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-2,4-dichloro-5-methylbenzenesulfonamide
CID 23515232
methyl 2-[(2,4-dichlorophenyl)sulfamoyl]benzoate
CID 54141617
2,4-dichloro-N-[2-[(5-chloro-3-pyridinyl)oxy]-5-methylphenyl]-5-methylbenzenesulfonamide
CID 21357756
2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 70137943

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-3-pyridinyl)oxy]-2-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide?
The IUPAC name of 5-[(5-chloro-3-pyridinyl)oxy]-2-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide (CID 59066721) is 5-[(5-chloro-3-pyridinyl)oxy]-2-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide.
What is the SMILES notation for 5-[(5-chloro-3-pyridinyl)oxy]-2-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide?
The canonical SMILES for 5-[(5-chloro-3-pyridinyl)oxy]-2-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide is CCNC(=O)c1cc(Oc2cncc(Cl)c2)ccc1NS(=O)(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-[(5-chloro-3-pyridinyl)oxy]-2-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide?
The InChIKey is FCYRYLIZAZGKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl3N3O4S/c1-2-25-20(27)16-9-14(30-15-7-13(22)10-24-11-15)4-5-18(16)26-31(28,29)19-6-3-12(21)8-17(19)23/h3-11,26H,2H2,1H3,(H,25,27).
What are the key properties of 5-[(5-chloro-3-pyridinyl)oxy]-2-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide?
5-[(5-chloro-3-pyridinyl)oxy]-2-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide has a molecular weight of 500.79 g/mol, XLogP of 5.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-3-pyridinyl)oxy]-2-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide is sourced from PubChem (CID 59066721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).