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

C20H16Cl3N3O4S — CID 71525044

IUPAC2-[(5-chloro-3-pyridinyl)oxy]-5-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1
InChIInChI=1S/C20H16Cl3N3O4S/c1-2-25-20(27)16-9-14(4-5-18(16)30-15-7-13(22)10-24-11-15)26-31(28,29)19-6-3-12(21)8-17(19)23/h3-11,26H,2H2,1H3,(H,25,27)
InChIKeyRZMITOXFEZQFMT-UHFFFAOYSA-N
MW500.79 g/mol
LogP5.38
Rot. Bonds7

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

2-[(5-chloro-3-pyridinyl)oxy]-5-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide (PubChem CID 71525044) has the molecular formula C20H16Cl3N3O4S and a molecular weight of 500.79 g/mol. Its IUPAC name is 2-[(5-chloro-3-pyridinyl)oxy]-5-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide.

Molecular Properties

Compound Name2-[(5-chloro-3-pyridinyl)oxy]-5-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide
PubChem CID71525044
Molecular FormulaC20H16Cl3N3O4S
Molecular Weight500.79 g/mol
Exact Mass498.99
IUPAC Name2-[(5-chloro-3-pyridinyl)oxy]-5-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1
InChIInChI=1S/C20H16Cl3N3O4S/c1-2-25-20(27)16-9-14(4-5-18(16)30-15-7-13(22)10-24-11-15)26-31(28,29)19-6-3-12(21)8-17(19)23/h3-11,26H,2H2,1H3,(H,25,27)
InChIKeyRZMITOXFEZQFMT-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

5-[(5-chloro-3-pyridinyl)oxy]-2-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide
CID 59066721
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
2-acetyl-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methoxyphenyl]benzenesulfonamide
CID 67255121
N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-5-methylpyridine-2-sulfonamide;2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]benzenesulfonamide;methane
CID 162078078
N-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2-ethoxybenzenesulfonamide
CID 69201104
N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]pyridine-3-sulfonamide
CID 23515243
2,4-dichloro-N-[2-[(5-chloro-3-pyridinyl)oxy]-5-methylphenyl]-5-methylbenzenesulfonamide
CID 21357756
N-[(3-chlorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924260
3-[(2,4-dichlorophenyl)sulfonylamino]-4-[2,6-dimethoxy-4-(2-oxopropyl)phenoxy]-N-ethylbenzamide
CID 70999833
5-amino-2-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzenesulfonamide
CID 103287831
N-[2-bromo-4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-2,4-dichloro-5-methylbenzenesulfonamide
CID 23515232
2,4-dichloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
CID 3830236

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]-5-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide?
The IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]-5-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide (CID 71525044) is 2-[(5-chloro-3-pyridinyl)oxy]-5-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide.
What is the SMILES notation for 2-[(5-chloro-3-pyridinyl)oxy]-5-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide?
The canonical SMILES for 2-[(5-chloro-3-pyridinyl)oxy]-5-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide is CCNC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1.
What is the InChIKey of 2-[(5-chloro-3-pyridinyl)oxy]-5-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide?
The InChIKey is RZMITOXFEZQFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl3N3O4S/c1-2-25-20(27)16-9-14(4-5-18(16)30-15-7-13(22)10-24-11-15)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 2-[(5-chloro-3-pyridinyl)oxy]-5-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide?
2-[(5-chloro-3-pyridinyl)oxy]-5-[(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 2-[(5-chloro-3-pyridinyl)oxy]-5-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide is sourced from PubChem (CID 71525044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).