methyl 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-6-fluorobenzoate

C19H12Cl3FN2O5S — CID 59849998

IUPACmethyl 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-6-fluorobenzoate
SMILESCOC(=O)c1c(F)cccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H12Cl3FN2O5S/c1-29-19(26)17-14(23)3-2-4-16(17)30-18-15(7-10(20)9-24-18)25-31(27,28)11-5-6-12(21)13(22)8-11/h2-9,25H,1H3
InChIKeyKPQQXPDPLVJWMJ-UHFFFAOYSA-N
MW505.74 g/mol
LogP5.56
Rot. Bonds6

About methyl 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-6-fluorobenzoate

methyl 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-6-fluorobenzoate (PubChem CID 59849998) has the molecular formula C19H12Cl3FN2O5S and a molecular weight of 505.74 g/mol. Its IUPAC name is methyl 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-6-fluorobenzoate.

Molecular Properties

Compound Namemethyl 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-6-fluorobenzoate
PubChem CID59849998
Molecular FormulaC19H12Cl3FN2O5S
Molecular Weight505.74 g/mol
Exact Mass503.95
IUPAC Namemethyl 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-6-fluorobenzoate
SMILESCOC(=O)c1c(F)cccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H12Cl3FN2O5S/c1-29-19(26)17-14(23)3-2-4-16(17)30-18-15(7-10(20)9-24-18)25-31(27,28)11-5-6-12(21)13(22)8-11/h2-9,25H,1H3
InChIKeyKPQQXPDPLVJWMJ-UHFFFAOYSA-N
XLogP5.56
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.74
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-6-fluorobenzoate with MolForge

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Related Compounds

2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide
CID 59850007
methyl 2-[(5-chloro-3-nitro-2-pyridinyl)oxy]-6-fluorobenzoate
CID 59849929
3,4-dichloro-N-[5-chloro-2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]benzenesulfonamide
CID 71190450
3-bromo-N-[5-chloro-2-(2-fluoro-6-methoxybenzoyl)-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide
CID 11699761
2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 59849946
2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(1-methylpyrrolidin-3-yl)benzamide
CID 59849960
2-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]-3-fluorobenzoic acid
CID 58268135
4-chloro-N-(5-chloro-2-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67227108
4-chloro-N-[5-chloro-2-[(2-fluoro-6-methoxyphenyl)-hydroxymethyl]-3-pyridinyl]-3-methylbenzenesulfonamide
CID 143262644
N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-3-(4-fluorophenyl)benzenesulfonamide
CID 59849992
methyl 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 8603632
methyl 4-chloro-2-[(3-fluorophenyl)sulfonylamino]benzoate
CID 5184954

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-6-fluorobenzoate?
The IUPAC name of methyl 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-6-fluorobenzoate (CID 59849998) is methyl 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-6-fluorobenzoate.
What is the SMILES notation for methyl 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-6-fluorobenzoate?
The canonical SMILES for methyl 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-6-fluorobenzoate is COC(=O)c1c(F)cccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of methyl 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-6-fluorobenzoate?
The InChIKey is KPQQXPDPLVJWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl3FN2O5S/c1-29-19(26)17-14(23)3-2-4-16(17)30-18-15(7-10(20)9-24-18)25-31(27,28)11-5-6-12(21)13(22)8-11/h2-9,25H,1H3.
What are the key properties of methyl 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-6-fluorobenzoate?
methyl 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-6-fluorobenzoate has a molecular weight of 505.74 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-6-fluorobenzoate is sourced from PubChem (CID 59849998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).