methyl 2-[4-[4-[(2-chlorophenyl)sulfonylamino]but-1-en-2-yl]-6-fluoro-3-methylnaphthalen-2-yl]acetate

C24H23ClFNO4S — CID 86683828

IUPACmethyl 2-[4-[4-[(2-chlorophenyl)sulfonylamino]but-1-en-2-yl]-6-fluoro-3-methylnaphthalen-2-yl]acetate
SMILESC=C(CCNS(=O)(=O)c1ccccc1Cl)c1c(C)c(CC(=O)OC)cc2ccc(F)cc12
InChIInChI=1S/C24H23ClFNO4S/c1-15(10-11-27-32(29,30)22-7-5-4-6-21(22)25)24-16(2)18(13-23(28)31-3)12-17-8-9-19(26)14-20(17)24/h4-9,12,14,27H,1,10-11,13H2,2-3H3
InChIKeyJVYDRFIDPRDDSD-UHFFFAOYSA-N
MW475.97 g/mol
LogP5.04
Rot. Bonds8

About methyl 2-[4-[4-[(2-chlorophenyl)sulfonylamino]but-1-en-2-yl]-6-fluoro-3-methylnaphthalen-2-yl]acetate

methyl 2-[4-[4-[(2-chlorophenyl)sulfonylamino]but-1-en-2-yl]-6-fluoro-3-methylnaphthalen-2-yl]acetate (PubChem CID 86683828) has the molecular formula C24H23ClFNO4S and a molecular weight of 475.97 g/mol. Its IUPAC name is methyl 2-[4-[4-[(2-chlorophenyl)sulfonylamino]but-1-en-2-yl]-6-fluoro-3-methylnaphthalen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[4-[(2-chlorophenyl)sulfonylamino]but-1-en-2-yl]-6-fluoro-3-methylnaphthalen-2-yl]acetate
PubChem CID86683828
Molecular FormulaC24H23ClFNO4S
Molecular Weight475.97 g/mol
Exact Mass475.10
IUPAC Namemethyl 2-[4-[4-[(2-chlorophenyl)sulfonylamino]but-1-en-2-yl]-6-fluoro-3-methylnaphthalen-2-yl]acetate
SMILESC=C(CCNS(=O)(=O)c1ccccc1Cl)c1c(C)c(CC(=O)OC)cc2ccc(F)cc12
InChIInChI=1S/C24H23ClFNO4S/c1-15(10-11-27-32(29,30)22-7-5-4-6-21(22)25)24-16(2)18(13-23(28)31-3)12-17-8-9-19(26)14-20(17)24/h4-9,12,14,27H,1,10-11,13H2,2-3H3
InChIKeyJVYDRFIDPRDDSD-UHFFFAOYSA-N
XLogP5.04
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.97
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[4-[4-[(2-chlorophenyl)sulfonylamino]but-1-en-2-yl]-6-fluoro-3-methylnaphthalen-2-yl]acetate with MolForge

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Related Compounds

3-[6-[(4-Chlorophenyl)sulfonylamino]-3-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]propanoic acid
CID 44277781
Terutroban sodium
CID 23674098
{4-[1-(2-Chloro-benzenesulfonyl)-piperidin-4-yl]-6-fluoro-naphthalen-2-yl}-acetic acid
CID 71572193
{4-[1-(3-Chloro-benzenesulfonyl)-piperidin-4-yl]-6-fluoro-naphthalen-2-yl}-acetic acid
CID 71604043
{4-[1-(4-Chloro-benzenesulfonyl)-piperidin-4-yl]-6-fluoro-naphthalen-2-yl}-acetic acid
CID 71604044
2-[6-Chloro-4-[4-(cyclohexylsulfamoyl)phenyl]-3-methylnaphthalen-2-yl]acetic acid
CID 71711327
2-[6-Chloro-3-methyl-4-[4-(propan-2-ylsulfamoyl)phenyl]naphthalen-2-yl]acetic acid
CID 71711385
{6-Chloro-4-[4-(2-hydroxyethylsulfamoyl)-phenyl]-3-methyl-naphthalen-2-yl}-acetic acid
CID 71711575
2-[5-[[(4-Chlorophenyl)sulfonylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]acetic acid
CID 44214436
methyl (2R)-3-[(4-methylphenyl)sulfonylamino]-2-naphthalen-2-ylpropanoate
CID 146168596
Ethyl 3-[2-[(4-chlorophenyl)sulphonylamino]ethyl]-5-[(4-fluorophenyl)methyl]benzenepropanoate
CID 19962373
[6-Fluoro-4-(4-methylsulfamoyl-benzyl)-naphthalen-2-yl]acetic acid methyl ester
CID 59350853

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[4-[(2-chlorophenyl)sulfonylamino]but-1-en-2-yl]-6-fluoro-3-methylnaphthalen-2-yl]acetate?
The IUPAC name of methyl 2-[4-[4-[(2-chlorophenyl)sulfonylamino]but-1-en-2-yl]-6-fluoro-3-methylnaphthalen-2-yl]acetate (CID 86683828) is methyl 2-[4-[4-[(2-chlorophenyl)sulfonylamino]but-1-en-2-yl]-6-fluoro-3-methylnaphthalen-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-[4-[(2-chlorophenyl)sulfonylamino]but-1-en-2-yl]-6-fluoro-3-methylnaphthalen-2-yl]acetate?
The canonical SMILES for methyl 2-[4-[4-[(2-chlorophenyl)sulfonylamino]but-1-en-2-yl]-6-fluoro-3-methylnaphthalen-2-yl]acetate is C=C(CCNS(=O)(=O)c1ccccc1Cl)c1c(C)c(CC(=O)OC)cc2ccc(F)cc12.
What is the InChIKey of methyl 2-[4-[4-[(2-chlorophenyl)sulfonylamino]but-1-en-2-yl]-6-fluoro-3-methylnaphthalen-2-yl]acetate?
The InChIKey is JVYDRFIDPRDDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFNO4S/c1-15(10-11-27-32(29,30)22-7-5-4-6-21(22)25)24-16(2)18(13-23(28)31-3)12-17-8-9-19(26)14-20(17)24/h4-9,12,14,27H,1,10-11,13H2,2-3H3.
What are the key properties of methyl 2-[4-[4-[(2-chlorophenyl)sulfonylamino]but-1-en-2-yl]-6-fluoro-3-methylnaphthalen-2-yl]acetate?
methyl 2-[4-[4-[(2-chlorophenyl)sulfonylamino]but-1-en-2-yl]-6-fluoro-3-methylnaphthalen-2-yl]acetate has a molecular weight of 475.97 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[4-[(2-chlorophenyl)sulfonylamino]but-1-en-2-yl]-6-fluoro-3-methylnaphthalen-2-yl]acetate is sourced from PubChem (CID 86683828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).