methyl 5-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-2-fluorobenzoate

C20H20FNO5S — CID 30473775

IUPACmethyl 5-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-2-fluorobenzoate
SMILESCOC(=O)c1cc(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCC2)ccc1F
InChIInChI=1S/C20H20FNO5S/c1-27-18(23)16-13-14(9-10-17(16)21)22-19(24)20(11-5-6-12-20)28(25,26)15-7-3-2-4-8-15/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,22,24)
InChIKeyLDHLUWVPFTYKKS-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.34
Rot. Bonds5

About methyl 5-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-2-fluorobenzoate

methyl 5-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-2-fluorobenzoate (PubChem CID 30473775) has the molecular formula C20H20FNO5S and a molecular weight of 405.45 g/mol. Its IUPAC name is methyl 5-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-2-fluorobenzoate.

Molecular Properties

Compound Namemethyl 5-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-2-fluorobenzoate
PubChem CID30473775
Molecular FormulaC20H20FNO5S
Molecular Weight405.45 g/mol
Exact Mass405.10
IUPAC Namemethyl 5-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-2-fluorobenzoate
SMILESCOC(=O)c1cc(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCC2)ccc1F
InChIInChI=1S/C20H20FNO5S/c1-27-18(23)16-13-14(9-10-17(16)21)22-19(24)20(11-5-6-12-20)28(25,26)15-7-3-2-4-8-15/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,22,24)
InChIKeyLDHLUWVPFTYKKS-UHFFFAOYSA-N
XLogP3.34
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 24592826
1-(benzenesulfonyl)-N-phenylcyclopentane-1-carboxamide
CID 17438426
1-(benzenesulfonyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 32902979
N-(5-acetamido-2-methoxyphenyl)-1-(benzenesulfonyl)cyclopentane-1-carboxamide
CID 16595027
1-(benzenesulfonyl)-N-(4-ethoxyphenyl)cyclopentane-1-carboxamide
CID 17390768
3-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-4-fluorobenzoic acid
CID 75414478
1-(4-chlorophenyl)sulfonyl-N-[4-(phenylcarbamoylamino)phenyl]cyclopentane-1-carboxamide
CID 31825356
1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)cyclopentane-1-carboxamide
CID 39675141
1-(benzenesulfonyl)-N-[3-(diethylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 16590699
1-(4-chlorophenyl)sulfonyl-N-(4-ethylsulfonylphenyl)cyclopentane-1-carboxamide
CID 55496237
N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
CID 4110794
N-(5-acetamido-2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
CID 55917246

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-2-fluorobenzoate?
The IUPAC name of methyl 5-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-2-fluorobenzoate (CID 30473775) is methyl 5-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-2-fluorobenzoate.
What is the SMILES notation for methyl 5-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-2-fluorobenzoate?
The canonical SMILES for methyl 5-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-2-fluorobenzoate is COC(=O)c1cc(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCC2)ccc1F.
What is the InChIKey of methyl 5-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-2-fluorobenzoate?
The InChIKey is LDHLUWVPFTYKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO5S/c1-27-18(23)16-13-14(9-10-17(16)21)22-19(24)20(11-5-6-12-20)28(25,26)15-7-3-2-4-8-15/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,22,24).
What are the key properties of methyl 5-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-2-fluorobenzoate?
methyl 5-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-2-fluorobenzoate has a molecular weight of 405.45 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-2-fluorobenzoate is sourced from PubChem (CID 30473775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).