cis-(1R,2R)-1-fluoro-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide

C23H24FN3O5S — CID 11856419

IUPACcis-(1R,2R)-1-fluoro-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide
SMILESCc1cc(COc2ccc(S(=O)(=O)N[C@@H]3CCC[C@]3(F)C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C23H24FN3O5S/c1-15-13-16(19-5-2-3-6-20(19)25-15)14-32-17-8-10-18(11-9-17)33(30,31)27-21-7-4-12-23(21,24)22(28)26-29/h2-3,5-6,8-11,13,21,27,29H,4,7,12,14H2,1H3,(H,26,28)/t21-,23-/m1/s1
InChIKeyRWCDLIMVIHXPPI-FYYLOGMGSA-N
MW473.53 g/mol
LogP3.17
Rot. Bonds7

About cis-(1R,2R)-1-fluoro-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide

cis-(1R,2R)-1-fluoro-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide (PubChem CID 11856419) has the molecular formula C23H24FN3O5S and a molecular weight of 473.53 g/mol. Its IUPAC name is cis-(1R,2R)-1-fluoro-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-1-fluoro-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide
PubChem CID11856419
Molecular FormulaC23H24FN3O5S
Molecular Weight473.53 g/mol
Exact Mass473.14
IUPAC Namecis-(1R,2R)-1-fluoro-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide
SMILESCc1cc(COc2ccc(S(=O)(=O)N[C@@H]3CCC[C@]3(F)C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C23H24FN3O5S/c1-15-13-16(19-5-2-3-6-20(19)25-15)14-32-17-8-10-18(11-9-17)33(30,31)27-21-7-4-12-23(21,24)22(28)26-29/h2-3,5-6,8-11,13,21,27,29H,4,7,12,14H2,1H3,(H,26,28)/t21-,23-/m1/s1
InChIKeyRWCDLIMVIHXPPI-FYYLOGMGSA-N
XLogP3.17
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-1-fluoro-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-1-fluoro-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide (CID 11856419) is cis-(1R,2R)-1-fluoro-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-1-fluoro-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-1-fluoro-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide is Cc1cc(COc2ccc(S(=O)(=O)N[C@@H]3CCC[C@]3(F)C(=O)NO)cc2)c2ccccc2n1.
What is the InChIKey of cis-(1R,2R)-1-fluoro-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide?
The InChIKey is RWCDLIMVIHXPPI-FYYLOGMGSA-N. The full InChI is InChI=1S/C23H24FN3O5S/c1-15-13-16(19-5-2-3-6-20(19)25-15)14-32-17-8-10-18(11-9-17)33(30,31)27-21-7-4-12-23(21,24)22(28)26-29/h2-3,5-6,8-11,13,21,27,29H,4,7,12,14H2,1H3,(H,26,28)/t21-,23-/m1/s1.
What are the key properties of cis-(1R,2R)-1-fluoro-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide?
cis-(1R,2R)-1-fluoro-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide has a molecular weight of 473.53 g/mol, XLogP of 3.17, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-1-fluoro-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide is sourced from PubChem (CID 11856419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).