(2R,3aR,6aR)-N-hydroxy-1-(4-iodophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide

C14H17IN2O4S — CID 10071671

IUPAC(2R,3aR,6aR)-N-hydroxy-1-(4-iodophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
SMILESO=C(NO)[C@H]1C[C@H]2CCC[C@H]2N1S(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C14H17IN2O4S/c15-10-4-6-11(7-5-10)22(20,21)17-12-3-1-2-9(12)8-13(17)14(18)16-19/h4-7,9,12-13,19H,1-3,8H2,(H,16,18)/t9-,12-,13-/m1/s1
InChIKeyIITHKFKYFCGVAR-OASPWFOLSA-N
MW436.27 g/mol
LogP1.73
Rot. Bonds3

About (2R,3aR,6aR)-N-hydroxy-1-(4-iodophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide

(2R,3aR,6aR)-N-hydroxy-1-(4-iodophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide (PubChem CID 10071671) has the molecular formula C14H17IN2O4S and a molecular weight of 436.27 g/mol. Its IUPAC name is (2R,3aR,6aR)-N-hydroxy-1-(4-iodophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2R,3aR,6aR)-N-hydroxy-1-(4-iodophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
PubChem CID10071671
Molecular FormulaC14H17IN2O4S
Molecular Weight436.27 g/mol
Exact Mass436.00
IUPAC Name(2R,3aR,6aR)-N-hydroxy-1-(4-iodophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
SMILESO=C(NO)[C@H]1C[C@H]2CCC[C@H]2N1S(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C14H17IN2O4S/c15-10-4-6-11(7-5-10)22(20,21)17-12-3-1-2-9(12)8-13(17)14(18)16-19/h4-7,9,12-13,19H,1-3,8H2,(H,16,18)/t9-,12-,13-/m1/s1
InChIKeyIITHKFKYFCGVAR-OASPWFOLSA-N
XLogP1.73
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.27
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,3aR,6aR)-N-hydroxy-1-(4-iodophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide with MolForge

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Related Compounds

(1S,3R,4R)-2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 12146448
(2R,3aR,6aR)-N-hydroxy-1-[4-(trifluoromethyl)phenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
CID 58751630
(1R,3R)-2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 58801690
(1S,3R)-2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 89372881
N-hydroxy-1-[4-(trifluoromethyl)phenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
CID 72412467
(2R,3aR,6aR)-N-hydroxy-1-(4-phenylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
CID 10385490
(2R,3aR,6aR)-N-hydroxy-1-[(E)-2-phenylethenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
CID 10472196
(1S,3R,4R)-2-(benzenesulfonyl)-N-hydroxy-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 12146439
(2R,3aR,6aR)-1-(4-cyanophenyl)sulfonyl-N-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
CID 58751628
(2R,3aR,6aR)-1-(4-tert-butylphenyl)sulfonyl-N-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
CID 58751629
(3aR,6aR)-N-hydroxy-1-(4-iodophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
CID 58751631
(2R,3aR,6aR)-1-(4-bromophenyl)sulfonyl-N-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
CID 58751635

Frequently Asked Questions

What is the IUPAC name of (2R,3aR,6aR)-N-hydroxy-1-(4-iodophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide?
The IUPAC name of (2R,3aR,6aR)-N-hydroxy-1-(4-iodophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide (CID 10071671) is (2R,3aR,6aR)-N-hydroxy-1-(4-iodophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide.
What is the SMILES notation for (2R,3aR,6aR)-N-hydroxy-1-(4-iodophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide?
The canonical SMILES for (2R,3aR,6aR)-N-hydroxy-1-(4-iodophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide is O=C(NO)[C@H]1C[C@H]2CCC[C@H]2N1S(=O)(=O)c1ccc(I)cc1.
What is the InChIKey of (2R,3aR,6aR)-N-hydroxy-1-(4-iodophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide?
The InChIKey is IITHKFKYFCGVAR-OASPWFOLSA-N. The full InChI is InChI=1S/C14H17IN2O4S/c15-10-4-6-11(7-5-10)22(20,21)17-12-3-1-2-9(12)8-13(17)14(18)16-19/h4-7,9,12-13,19H,1-3,8H2,(H,16,18)/t9-,12-,13-/m1/s1.
What are the key properties of (2R,3aR,6aR)-N-hydroxy-1-(4-iodophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide?
(2R,3aR,6aR)-N-hydroxy-1-(4-iodophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide has a molecular weight of 436.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,6aR)-N-hydroxy-1-(4-iodophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide is sourced from PubChem (CID 10071671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).