methyl 5-[[2-[N-(benzenesulfonyl)-2-fluoroanilino]acetyl]amino]-2-chlorobenzoate

C22H18ClFN2O5S — CID 2206174

IUPACmethyl 5-[[2-[N-(benzenesulfonyl)-2-fluoroanilino]acetyl]amino]-2-chlorobenzoate
SMILESCOC(=O)c1cc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C22H18ClFN2O5S/c1-31-22(28)17-13-15(11-12-18(17)23)25-21(27)14-26(20-10-6-5-9-19(20)24)32(29,30)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,25,27)
InChIKeyUOPPHCBSRWGIPL-UHFFFAOYSA-N
MW476.91 g/mol
LogP4.10
Rot. Bonds7

About methyl 5-[[2-[N-(benzenesulfonyl)-2-fluoroanilino]acetyl]amino]-2-chlorobenzoate

methyl 5-[[2-[N-(benzenesulfonyl)-2-fluoroanilino]acetyl]amino]-2-chlorobenzoate (PubChem CID 2206174) has the molecular formula C22H18ClFN2O5S and a molecular weight of 476.91 g/mol. Its IUPAC name is methyl 5-[[2-[N-(benzenesulfonyl)-2-fluoroanilino]acetyl]amino]-2-chlorobenzoate.

Molecular Properties

Compound Namemethyl 5-[[2-[N-(benzenesulfonyl)-2-fluoroanilino]acetyl]amino]-2-chlorobenzoate
PubChem CID2206174
Molecular FormulaC22H18ClFN2O5S
Molecular Weight476.91 g/mol
Exact Mass476.06
IUPAC Namemethyl 5-[[2-[N-(benzenesulfonyl)-2-fluoroanilino]acetyl]amino]-2-chlorobenzoate
SMILESCOC(=O)c1cc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C22H18ClFN2O5S/c1-31-22(28)17-13-15(11-12-18(17)23)25-21(27)14-26(20-10-6-5-9-19(20)24)32(29,30)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,25,27)
InChIKeyUOPPHCBSRWGIPL-UHFFFAOYSA-N
XLogP4.10
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.91
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[2-[N-(benzenesulfonyl)-2-fluoroanilino]acetyl]amino]-2-chlorobenzoate with MolForge

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Related Compounds

methyl 5-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-2-chlorobenzoate
CID 21371915
ethyl 4-[[2-[N-(benzenesulfonyl)-2-fluoroanilino]acetyl]amino]-2-chlorobenzoate
CID 30304760
methyl 5-[[2-[N-(benzenesulfonyl)-4-methylanilino]acetyl]amino]-2-chlorobenzoate
CID 126269807
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(4-bromo-3-chlorophenyl)acetamide
CID 2209343
ethyl 2-chloro-5-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]amino]benzoate
CID 92677264
ethyl 5-[[2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]acetyl]amino]-2-chlorobenzoate
CID 30305179
ethyl 2-chloro-4-[[2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzoate
CID 30275557
methyl 2-chloro-5-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 126318297
ethyl 5-[[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetyl]amino]-2-chlorobenzoate
CID 43902060
ethyl 2-chloro-5-[[2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetyl]amino]benzoate
CID 28575790
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 126033701
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(3,4-difluorophenyl)acetamide
CID 3360901

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-[N-(benzenesulfonyl)-2-fluoroanilino]acetyl]amino]-2-chlorobenzoate?
The IUPAC name of methyl 5-[[2-[N-(benzenesulfonyl)-2-fluoroanilino]acetyl]amino]-2-chlorobenzoate (CID 2206174) is methyl 5-[[2-[N-(benzenesulfonyl)-2-fluoroanilino]acetyl]amino]-2-chlorobenzoate.
What is the SMILES notation for methyl 5-[[2-[N-(benzenesulfonyl)-2-fluoroanilino]acetyl]amino]-2-chlorobenzoate?
The canonical SMILES for methyl 5-[[2-[N-(benzenesulfonyl)-2-fluoroanilino]acetyl]amino]-2-chlorobenzoate is COC(=O)c1cc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)ccc1Cl.
What is the InChIKey of methyl 5-[[2-[N-(benzenesulfonyl)-2-fluoroanilino]acetyl]amino]-2-chlorobenzoate?
The InChIKey is UOPPHCBSRWGIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O5S/c1-31-22(28)17-13-15(11-12-18(17)23)25-21(27)14-26(20-10-6-5-9-19(20)24)32(29,30)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,25,27).
What are the key properties of methyl 5-[[2-[N-(benzenesulfonyl)-2-fluoroanilino]acetyl]amino]-2-chlorobenzoate?
methyl 5-[[2-[N-(benzenesulfonyl)-2-fluoroanilino]acetyl]amino]-2-chlorobenzoate has a molecular weight of 476.91 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-[N-(benzenesulfonyl)-2-fluoroanilino]acetyl]amino]-2-chlorobenzoate is sourced from PubChem (CID 2206174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).