[(1S,2S)-2-[[2-fluoro-5-[(3,4,5-trifluorophenyl)carbamoyl]phenyl]sulfonylamino]cyclopentyl]carbamic acid

C19H17F4N3O5S — CID 146301482

IUPAC[(1S,2S)-2-[[2-fluoro-5-[(3,4,5-trifluorophenyl)carbamoyl]phenyl]sulfonylamino]cyclopentyl]carbamic acid
SMILESO=C(O)N[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(C(=O)Nc2cc(F)c(F)c(F)c2)ccc1F
InChIInChI=1S/C19H17F4N3O5S/c20-11-5-4-9(18(27)24-10-7-12(21)17(23)13(22)8-10)6-16(11)32(30,31)26-15-3-1-2-14(15)25-19(28)29/h4-8,14-15,25-26H,1-3H2,(H,24,27)(H,28,29)/t14-,15-/m0/s1
InChIKeyANFOWOMMOAXKAC-GJZGRUSLSA-N
MW475.42 g/mol
LogP2.96
Rot. Bonds6

About [(1S,2S)-2-[[2-fluoro-5-[(3,4,5-trifluorophenyl)carbamoyl]phenyl]sulfonylamino]cyclopentyl]carbamic acid

[(1S,2S)-2-[[2-fluoro-5-[(3,4,5-trifluorophenyl)carbamoyl]phenyl]sulfonylamino]cyclopentyl]carbamic acid (PubChem CID 146301482) has the molecular formula C19H17F4N3O5S and a molecular weight of 475.42 g/mol. Its IUPAC name is [(1S,2S)-2-[[2-fluoro-5-[(3,4,5-trifluorophenyl)carbamoyl]phenyl]sulfonylamino]cyclopentyl]carbamic acid.

Molecular Properties

Compound Name[(1S,2S)-2-[[2-fluoro-5-[(3,4,5-trifluorophenyl)carbamoyl]phenyl]sulfonylamino]cyclopentyl]carbamic acid
PubChem CID146301482
Molecular FormulaC19H17F4N3O5S
Molecular Weight475.42 g/mol
Exact Mass475.08
IUPAC Name[(1S,2S)-2-[[2-fluoro-5-[(3,4,5-trifluorophenyl)carbamoyl]phenyl]sulfonylamino]cyclopentyl]carbamic acid
SMILESO=C(O)N[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(C(=O)Nc2cc(F)c(F)c(F)c2)ccc1F
InChIInChI=1S/C19H17F4N3O5S/c20-11-5-4-9(18(27)24-10-7-12(21)17(23)13(22)8-10)6-16(11)32(30,31)26-15-3-1-2-14(15)25-19(28)29/h4-8,14-15,25-26H,1-3H2,(H,24,27)(H,28,29)/t14-,15-/m0/s1
InChIKeyANFOWOMMOAXKAC-GJZGRUSLSA-N
XLogP2.96
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.42
LogP ≤ 52.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-(3-fluoro-4-methylphenyl)-3-[[(1S,2R)-2-methylcyclohexyl]sulfamoyl]benzamide
CID 7032351
[1-[2-fluoro-5-[(3,4,5-trifluorophenyl)carbamoyl]phenyl]sulfonylpyrrolidin-3-yl]carbamic acid
CID 146301441
4-fluoro-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63281293
tert-butyl 4-[[2-fluoro-5-[(3,4,5-trifluorophenyl)carbamoyl]phenyl]sulfonylamino]piperidine-1-carboxylate
CID 146301249
[(2R)-1-[2-fluoro-5-[(3,4,5-trifluorophenyl)carbamoyl]phenyl]sulfonylpiperidin-2-yl]methylcarbamic acid
CID 146301412
4-fluoro-3-(4-fluoro-5-hydroxyazocan-1-yl)sulfonyl-N-(3,4,5-trifluorophenyl)benzamide
CID 122547391
4-fluoro-3-(3-fluoroazepan-1-yl)sulfonyl-N-(3,4,5-trifluorophenyl)benzamide
CID 118230075
3-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide
CID 146301309
3-fluoro-4-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-1-methyl-N-(3,4,5-trifluorophenyl)pyrrole-2-carboxamide
CID 146336996
3-fluoro-4-[[(1R,2S)-2-(hydroxymethyl)cyclopentyl]sulfamoyl]-1-methyl-N-(3,4,5-trifluorophenyl)pyrrole-2-carboxamide
CID 146336997
3-[(2S)-2-(aminomethyl)azetidin-1-yl]sulfonyl-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide
CID 146302503
4-fluoro-3-[(3-oxo-1,4-diazepan-1-yl)sulfonyl]-N-(3,4,5-trifluorophenyl)benzamide
CID 118229976

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-[[2-fluoro-5-[(3,4,5-trifluorophenyl)carbamoyl]phenyl]sulfonylamino]cyclopentyl]carbamic acid?
The IUPAC name of [(1S,2S)-2-[[2-fluoro-5-[(3,4,5-trifluorophenyl)carbamoyl]phenyl]sulfonylamino]cyclopentyl]carbamic acid (CID 146301482) is [(1S,2S)-2-[[2-fluoro-5-[(3,4,5-trifluorophenyl)carbamoyl]phenyl]sulfonylamino]cyclopentyl]carbamic acid.
What is the SMILES notation for [(1S,2S)-2-[[2-fluoro-5-[(3,4,5-trifluorophenyl)carbamoyl]phenyl]sulfonylamino]cyclopentyl]carbamic acid?
The canonical SMILES for [(1S,2S)-2-[[2-fluoro-5-[(3,4,5-trifluorophenyl)carbamoyl]phenyl]sulfonylamino]cyclopentyl]carbamic acid is O=C(O)N[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(C(=O)Nc2cc(F)c(F)c(F)c2)ccc1F.
What is the InChIKey of [(1S,2S)-2-[[2-fluoro-5-[(3,4,5-trifluorophenyl)carbamoyl]phenyl]sulfonylamino]cyclopentyl]carbamic acid?
The InChIKey is ANFOWOMMOAXKAC-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H17F4N3O5S/c20-11-5-4-9(18(27)24-10-7-12(21)17(23)13(22)8-10)6-16(11)32(30,31)26-15-3-1-2-14(15)25-19(28)29/h4-8,14-15,25-26H,1-3H2,(H,24,27)(H,28,29)/t14-,15-/m0/s1.
What are the key properties of [(1S,2S)-2-[[2-fluoro-5-[(3,4,5-trifluorophenyl)carbamoyl]phenyl]sulfonylamino]cyclopentyl]carbamic acid?
[(1S,2S)-2-[[2-fluoro-5-[(3,4,5-trifluorophenyl)carbamoyl]phenyl]sulfonylamino]cyclopentyl]carbamic acid has a molecular weight of 475.42 g/mol, XLogP of 2.96, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-[[2-fluoro-5-[(3,4,5-trifluorophenyl)carbamoyl]phenyl]sulfonylamino]cyclopentyl]carbamic acid is sourced from PubChem (CID 146301482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).