(2R)-N-hydroxy-1-[4-[(4-nitrobenzoyl)amino]phenyl]sulfonylpyrrolidine-2-carboxamide

C18H18N4O7S — CID 162676069

IUPAC(2R)-N-hydroxy-1-[4-[(4-nitrobenzoyl)amino]phenyl]sulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NO)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H18N4O7S/c23-17(12-3-7-14(8-4-12)22(26)27)19-13-5-9-15(10-6-13)30(28,29)21-11-1-2-16(21)18(24)20-25/h3-10,16,25H,1-2,11H2,(H,19,23)(H,20,24)/t16-/m1/s1
InChIKeyBWRFQNITTBVUMD-MRXNPFEDSA-N
MW434.43 g/mol
LogP1.51
Rot. Bonds6

About (2R)-N-hydroxy-1-[4-[(4-nitrobenzoyl)amino]phenyl]sulfonylpyrrolidine-2-carboxamide

(2R)-N-hydroxy-1-[4-[(4-nitrobenzoyl)amino]phenyl]sulfonylpyrrolidine-2-carboxamide (PubChem CID 162676069) has the molecular formula C18H18N4O7S and a molecular weight of 434.43 g/mol. Its IUPAC name is (2R)-N-hydroxy-1-[4-[(4-nitrobenzoyl)amino]phenyl]sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-1-[4-[(4-nitrobenzoyl)amino]phenyl]sulfonylpyrrolidine-2-carboxamide
PubChem CID162676069
Molecular FormulaC18H18N4O7S
Molecular Weight434.43 g/mol
Exact Mass434.09
IUPAC Name(2R)-N-hydroxy-1-[4-[(4-nitrobenzoyl)amino]phenyl]sulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NO)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H18N4O7S/c23-17(12-3-7-14(8-4-12)22(26)27)19-13-5-9-15(10-6-13)30(28,29)21-11-1-2-16(21)18(24)20-25/h3-10,16,25H,1-2,11H2,(H,19,23)(H,20,24)/t16-/m1/s1
InChIKeyBWRFQNITTBVUMD-MRXNPFEDSA-N
XLogP1.51
TPSA158.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.43
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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)-N-hydroxy-1-[4-[(4-nitrobenzoyl)amino]phenyl]sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-hydroxy-1-[4-[(4-nitrobenzoyl)amino]phenyl]sulfonylpyrrolidine-2-carboxamide (CID 162676069) is (2R)-N-hydroxy-1-[4-[(4-nitrobenzoyl)amino]phenyl]sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-hydroxy-1-[4-[(4-nitrobenzoyl)amino]phenyl]sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-hydroxy-1-[4-[(4-nitrobenzoyl)amino]phenyl]sulfonylpyrrolidine-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NO)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R)-N-hydroxy-1-[4-[(4-nitrobenzoyl)amino]phenyl]sulfonylpyrrolidine-2-carboxamide?
The InChIKey is BWRFQNITTBVUMD-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18N4O7S/c23-17(12-3-7-14(8-4-12)22(26)27)19-13-5-9-15(10-6-13)30(28,29)21-11-1-2-16(21)18(24)20-25/h3-10,16,25H,1-2,11H2,(H,19,23)(H,20,24)/t16-/m1/s1.
What are the key properties of (2R)-N-hydroxy-1-[4-[(4-nitrobenzoyl)amino]phenyl]sulfonylpyrrolidine-2-carboxamide?
(2R)-N-hydroxy-1-[4-[(4-nitrobenzoyl)amino]phenyl]sulfonylpyrrolidine-2-carboxamide has a molecular weight of 434.43 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-1-[4-[(4-nitrobenzoyl)amino]phenyl]sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 162676069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).