3-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-4-fluorobenzoic acid

C19H18FNO5S — CID 75414478

IUPAC3-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)c(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCC2)c1
InChIInChI=1S/C19H18FNO5S/c20-15-9-8-13(17(22)23)12-16(15)21-18(24)19(10-4-5-11-19)27(25,26)14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11H2,(H,21,24)(H,22,23)
InChIKeyVAYIZXHOYFSSRV-UHFFFAOYSA-N
MW391.42 g/mol
LogP3.25
Rot. Bonds5

About 3-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-4-fluorobenzoic acid

3-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-4-fluorobenzoic acid (PubChem CID 75414478) has the molecular formula C19H18FNO5S and a molecular weight of 391.42 g/mol. Its IUPAC name is 3-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-4-fluorobenzoic acid.

Molecular Properties

Compound Name3-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-4-fluorobenzoic acid
PubChem CID75414478
Molecular FormulaC19H18FNO5S
Molecular Weight391.42 g/mol
Exact Mass391.09
IUPAC Name3-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)c(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCC2)c1
InChIInChI=1S/C19H18FNO5S/c20-15-9-8-13(17(22)23)12-16(15)21-18(24)19(10-4-5-11-19)27(25,26)14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11H2,(H,21,24)(H,22,23)
InChIKeyVAYIZXHOYFSSRV-UHFFFAOYSA-N
XLogP3.25
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-phenylcyclopentane-1-carboxamide
CID 17438426
4-fluoro-3-[(1-methylcyclobutanecarbonyl)amino]benzoic acid
CID 120530218
methyl 5-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-2-fluorobenzoate
CID 30473775
N-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 24565442
1-(benzenesulfonyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 32902979
1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)cyclopentane-1-carboxamide
CID 51277668
1-(benzenesulfonyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclopentane-1-carboxamide
CID 24593042
1-(4-chlorophenyl)sulfonyl-N-[4-(phenylcarbamoylamino)phenyl]cyclopentane-1-carboxamide
CID 31825356
1-(benzenesulfonyl)-N-(1,6-dibromonaphthalen-2-yl)cyclopentane-1-carboxamide
CID 2337394
N-(5-acetamido-2-methoxyphenyl)-1-(benzenesulfonyl)cyclopentane-1-carboxamide
CID 16595027
1-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 15989037
1-(benzenesulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide
CID 24592774

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-4-fluorobenzoic acid?
The IUPAC name of 3-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-4-fluorobenzoic acid (CID 75414478) is 3-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-4-fluorobenzoic acid.
What is the SMILES notation for 3-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-4-fluorobenzoic acid?
The canonical SMILES for 3-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-4-fluorobenzoic acid is O=C(O)c1ccc(F)c(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCC2)c1.
What is the InChIKey of 3-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-4-fluorobenzoic acid?
The InChIKey is VAYIZXHOYFSSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO5S/c20-15-9-8-13(17(22)23)12-16(15)21-18(24)19(10-4-5-11-19)27(25,26)14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11H2,(H,21,24)(H,22,23).
What are the key properties of 3-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-4-fluorobenzoic acid?
3-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-4-fluorobenzoic acid has a molecular weight of 391.42 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-4-fluorobenzoic acid is sourced from PubChem (CID 75414478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).