2-[[3-chloro-5-[(2,4-dichlorophenyl)sulfonylamino]-2-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid

C18H15Cl3FNO5S — CID 46174440

IUPAC2-[[3-chloro-5-[(2,4-dichlorophenyl)sulfonylamino]-2-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
SMILESO=C(O)COc1c(F)c(Cl)cc2c1CCCC2NS(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H15Cl3FNO5S/c19-9-4-5-15(12(20)6-9)29(26,27)23-14-3-1-2-10-11(14)7-13(21)17(22)18(10)28-8-16(24)25/h4-7,14,23H,1-3,8H2,(H,24,25)
InChIKeySDQZPYMQHDVVTA-UHFFFAOYSA-N
MW482.74 g/mol
LogP4.61
Rot. Bonds6

About 2-[[3-chloro-5-[(2,4-dichlorophenyl)sulfonylamino]-2-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid

2-[[3-chloro-5-[(2,4-dichlorophenyl)sulfonylamino]-2-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid (PubChem CID 46174440) has the molecular formula C18H15Cl3FNO5S and a molecular weight of 482.74 g/mol. Its IUPAC name is 2-[[3-chloro-5-[(2,4-dichlorophenyl)sulfonylamino]-2-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[3-chloro-5-[(2,4-dichlorophenyl)sulfonylamino]-2-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
PubChem CID46174440
Molecular FormulaC18H15Cl3FNO5S
Molecular Weight482.74 g/mol
Exact Mass480.97
IUPAC Name2-[[3-chloro-5-[(2,4-dichlorophenyl)sulfonylamino]-2-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
SMILESO=C(O)COc1c(F)c(Cl)cc2c1CCCC2NS(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H15Cl3FNO5S/c19-9-4-5-15(12(20)6-9)29(26,27)23-14-3-1-2-10-11(14)7-13(21)17(22)18(10)28-8-16(24)25/h4-7,14,23H,1-3,8H2,(H,24,25)
InChIKeySDQZPYMQHDVVTA-UHFFFAOYSA-N
XLogP4.61
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.74
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(5R)-5-[[3-bromo-5-(trifluoromethyl)phenyl]sulfonylamino]-3-chloro-2-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 46174625
2-[[(5R)-5-[[2-chloro-4-(4-fluorophenoxy)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 59192563
2-[4-[(2,4-dichlorophenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]acetic acid
CID 44611778
2-[[(5R)-5-[[4-(4-chloro-2-fluorophenoxy)-3-hydroxyphenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 143940283
2-[[(5R)-5-[[4-(5-chloro-2-methylphenyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 59192626
2-[[(5R)-5-[[3,5-bis(methylsulfonyl)phenyl]sulfonylamino]-3-bromo-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 59192519
2-[[5-[[3-bromo-5-(trifluoromethyl)phenyl]sulfonylamino]-3-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 46174562
2-[[5-[[(3Z,5E)-6-amino-5-(3-propan-2-ylphenyl)hexa-1,3,5-trien-2-yl]sulfonylamino]-2,3-difluoro-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 89101405
2-[[(5R)-5-[(3,5-ditert-butylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 46174491
2,4-dichloro-N-(2-oxothiolan-3-yl)benzenesulfonamide
CID 5177491
2-[[5-[[4-(5-fluoro-3-pyridinyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 44815336
2-[[(5R)-5-[[5-bromo-6-(4-chlorophenoxy)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 44815168

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-[(2,4-dichlorophenyl)sulfonylamino]-2-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The IUPAC name of 2-[[3-chloro-5-[(2,4-dichlorophenyl)sulfonylamino]-2-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid (CID 46174440) is 2-[[3-chloro-5-[(2,4-dichlorophenyl)sulfonylamino]-2-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[3-chloro-5-[(2,4-dichlorophenyl)sulfonylamino]-2-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The canonical SMILES for 2-[[3-chloro-5-[(2,4-dichlorophenyl)sulfonylamino]-2-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid is O=C(O)COc1c(F)c(Cl)cc2c1CCCC2NS(=O)(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[[3-chloro-5-[(2,4-dichlorophenyl)sulfonylamino]-2-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The InChIKey is SDQZPYMQHDVVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl3FNO5S/c19-9-4-5-15(12(20)6-9)29(26,27)23-14-3-1-2-10-11(14)7-13(21)17(22)18(10)28-8-16(24)25/h4-7,14,23H,1-3,8H2,(H,24,25).
What are the key properties of 2-[[3-chloro-5-[(2,4-dichlorophenyl)sulfonylamino]-2-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
2-[[3-chloro-5-[(2,4-dichlorophenyl)sulfonylamino]-2-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid has a molecular weight of 482.74 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-[(2,4-dichlorophenyl)sulfonylamino]-2-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid is sourced from PubChem (CID 46174440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).