1-amino-3-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxycyclopentane-1-carboxamide

C18H19FN2O4S — CID 57162835

IUPAC1-amino-3-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxycyclopentane-1-carboxamide
SMILESNC1(C(=O)NO)CCC(S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)C1
InChIInChI=1S/C18H19FN2O4S/c19-14-5-1-12(2-6-14)13-3-7-15(8-4-13)26(24,25)16-9-10-18(20,11-16)17(22)21-23/h1-8,16,23H,9-11,20H2,(H,21,22)
InChIKeyRJKHCHVQCFLRRM-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.02
Rot. Bonds4

About 1-amino-3-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxycyclopentane-1-carboxamide

1-amino-3-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxycyclopentane-1-carboxamide (PubChem CID 57162835) has the molecular formula C18H19FN2O4S and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-amino-3-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxycyclopentane-1-carboxamide
PubChem CID57162835
Molecular FormulaC18H19FN2O4S
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC Name1-amino-3-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxycyclopentane-1-carboxamide
SMILESNC1(C(=O)NO)CCC(S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)C1
InChIInChI=1S/C18H19FN2O4S/c19-14-5-1-12(2-6-14)13-3-7-15(8-4-13)26(24,25)16-9-10-18(20,11-16)17(22)21-23/h1-8,16,23H,9-11,20H2,(H,21,22)
InChIKeyRJKHCHVQCFLRRM-UHFFFAOYSA-N
XLogP2.02
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Related Compounds

(1R)-N-hydroxy-2-[4-(2-phenylethynyl)phenyl]sulfonylcyclopentane-1-carboxamide
CID 155517141
2-(4-Benzyl-benzenesulfonylmethyl)-5-phenyl-pentanoic acid hydroxyamide
CID 44282970
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylsulfanylphenyl)butanamide
CID 56951133
N-hydroxy-2-methyl-2-(methylsulfonyl)-4-[4-(phenylthio)phenyl]butanamide
CID 76445789
2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]-N-hydroxyacetamide
CID 49845026
2-(benzenesulfonyl)-N-hydroxy-4-phenylbutanamide
CID 137658434
1-[[4-(4-fluorophenyl)phenyl]sulfonylamino]-N-hydroxycyclopentane-1-carboxamide
CID 17882056
1-[[4-(4-fluorophenyl)phenyl]sulfonylamino]-N-hydroxycyclobutane-1-carboxamide
CID 54018993
2-[4-(4-fluorophenyl)phenyl]sulfanyl-N-hydroxyoctanamide
CID 174421608
3-(benzenesulfonyl)-N-hydroxy-7-phenylheptanamide
CID 17915528
N-hydroxy-4-phenyl-3-(4-phenylphenyl)sulfonylbutanamide
CID 21224103
N-hydroxy-4-phenyl-3-[4-[(E)-2-phenylethenyl]phenyl]sulfonylbutanamide
CID 21224191

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxycyclopentane-1-carboxamide?
The IUPAC name of 1-amino-3-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxycyclopentane-1-carboxamide (CID 57162835) is 1-amino-3-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-3-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-3-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxycyclopentane-1-carboxamide is NC1(C(=O)NO)CCC(S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)C1.
What is the InChIKey of 1-amino-3-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxycyclopentane-1-carboxamide?
The InChIKey is RJKHCHVQCFLRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4S/c19-14-5-1-12(2-6-14)13-3-7-15(8-4-13)26(24,25)16-9-10-18(20,11-16)17(22)21-23/h1-8,16,23H,9-11,20H2,(H,21,22).
What are the key properties of 1-amino-3-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxycyclopentane-1-carboxamide?
1-amino-3-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxycyclopentane-1-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 57162835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).