(2R,4Z)-N-hydroxy-4-methoxyimino-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide

C18H19N3O6S — CID 10549256

IUPAC(2R,4Z)-N-hydroxy-4-methoxyimino-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCO/N=C1/C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C18H19N3O6S/c1-26-20-13-11-17(18(22)19-23)21(12-13)28(24,25)16-9-7-15(8-10-16)27-14-5-3-2-4-6-14/h2-10,17,23H,11-12H2,1H3,(H,19,22)/b20-13-/t17-/m1/s1
InChIKeyUSIBDKCJHKIPNX-VJOZSWGJSA-N
MW405.43 g/mol
LogP1.75
Rot. Bonds6

About (2R,4Z)-N-hydroxy-4-methoxyimino-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide

(2R,4Z)-N-hydroxy-4-methoxyimino-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 10549256) has the molecular formula C18H19N3O6S and a molecular weight of 405.43 g/mol. Its IUPAC name is (2R,4Z)-N-hydroxy-4-methoxyimino-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4Z)-N-hydroxy-4-methoxyimino-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID10549256
Molecular FormulaC18H19N3O6S
Molecular Weight405.43 g/mol
Exact Mass405.10
IUPAC Name(2R,4Z)-N-hydroxy-4-methoxyimino-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCO/N=C1/C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C18H19N3O6S/c1-26-20-13-11-17(18(22)19-23)21(12-13)28(24,25)16-9-7-15(8-10-16)27-14-5-3-2-4-6-14/h2-10,17,23H,11-12H2,1H3,(H,19,22)/b20-13-/t17-/m1/s1
InChIKeyUSIBDKCJHKIPNX-VJOZSWGJSA-N
XLogP1.75
TPSA117.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 (2R,4Z)-N-hydroxy-4-methoxyimino-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R,4Z)-N-hydroxy-4-methoxyimino-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide (CID 10549256) is (2R,4Z)-N-hydroxy-4-methoxyimino-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4Z)-N-hydroxy-4-methoxyimino-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4Z)-N-hydroxy-4-methoxyimino-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide is CO/N=C1/C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1.
What is the InChIKey of (2R,4Z)-N-hydroxy-4-methoxyimino-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is USIBDKCJHKIPNX-VJOZSWGJSA-N. The full InChI is InChI=1S/C18H19N3O6S/c1-26-20-13-11-17(18(22)19-23)21(12-13)28(24,25)16-9-7-15(8-10-16)27-14-5-3-2-4-6-14/h2-10,17,23H,11-12H2,1H3,(H,19,22)/b20-13-/t17-/m1/s1.
What are the key properties of (2R,4Z)-N-hydroxy-4-methoxyimino-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
(2R,4Z)-N-hydroxy-4-methoxyimino-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4Z)-N-hydroxy-4-methoxyimino-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 10549256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).