N-[4-[(2R)-2-(hydroxycarbamoyl)cyclopentyl]sulfonylphenyl]-4-nitrobenzamide

C19H19N3O7S — CID 155547834

IUPACN-[4-[(2R)-2-(hydroxycarbamoyl)cyclopentyl]sulfonylphenyl]-4-nitrobenzamide
SMILESO=C(Nc1ccc(S(=O)(=O)C2CCC[C@@H]2C(=O)NO)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H19N3O7S/c23-18(12-4-8-14(9-5-12)22(26)27)20-13-6-10-15(11-7-13)30(28,29)17-3-1-2-16(17)19(24)21-25/h4-11,16-17,25H,1-3H2,(H,20,23)(H,21,24)/t16-,17?/m0/s1
InChIKeyOIQMFKLUPFKRJF-BHWOMJMDSA-N
MW433.44 g/mol
LogP2.29
Rot. Bonds6

About N-[4-[(2R)-2-(hydroxycarbamoyl)cyclopentyl]sulfonylphenyl]-4-nitrobenzamide

N-[4-[(2R)-2-(hydroxycarbamoyl)cyclopentyl]sulfonylphenyl]-4-nitrobenzamide (PubChem CID 155547834) has the molecular formula C19H19N3O7S and a molecular weight of 433.44 g/mol. Its IUPAC name is N-[4-[(2R)-2-(hydroxycarbamoyl)cyclopentyl]sulfonylphenyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[4-[(2R)-2-(hydroxycarbamoyl)cyclopentyl]sulfonylphenyl]-4-nitrobenzamide
PubChem CID155547834
Molecular FormulaC19H19N3O7S
Molecular Weight433.44 g/mol
Exact Mass433.09
IUPAC NameN-[4-[(2R)-2-(hydroxycarbamoyl)cyclopentyl]sulfonylphenyl]-4-nitrobenzamide
SMILESO=C(Nc1ccc(S(=O)(=O)C2CCC[C@@H]2C(=O)NO)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H19N3O7S/c23-18(12-4-8-14(9-5-12)22(26)27)20-13-6-10-15(11-7-13)30(28,29)17-3-1-2-16(17)19(24)21-25/h4-11,16-17,25H,1-3H2,(H,20,23)(H,21,24)/t16-,17?/m0/s1
InChIKeyOIQMFKLUPFKRJF-BHWOMJMDSA-N
XLogP2.29
TPSA155.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 52.29
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 N-[4-[(2R)-2-(hydroxycarbamoyl)cyclopentyl]sulfonylphenyl]-4-nitrobenzamide?
The IUPAC name of N-[4-[(2R)-2-(hydroxycarbamoyl)cyclopentyl]sulfonylphenyl]-4-nitrobenzamide (CID 155547834) is N-[4-[(2R)-2-(hydroxycarbamoyl)cyclopentyl]sulfonylphenyl]-4-nitrobenzamide.
What is the SMILES notation for N-[4-[(2R)-2-(hydroxycarbamoyl)cyclopentyl]sulfonylphenyl]-4-nitrobenzamide?
The canonical SMILES for N-[4-[(2R)-2-(hydroxycarbamoyl)cyclopentyl]sulfonylphenyl]-4-nitrobenzamide is O=C(Nc1ccc(S(=O)(=O)C2CCC[C@@H]2C(=O)NO)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[4-[(2R)-2-(hydroxycarbamoyl)cyclopentyl]sulfonylphenyl]-4-nitrobenzamide?
The InChIKey is OIQMFKLUPFKRJF-BHWOMJMDSA-N. The full InChI is InChI=1S/C19H19N3O7S/c23-18(12-4-8-14(9-5-12)22(26)27)20-13-6-10-15(11-7-13)30(28,29)17-3-1-2-16(17)19(24)21-25/h4-11,16-17,25H,1-3H2,(H,20,23)(H,21,24)/t16-,17?/m0/s1.
What are the key properties of N-[4-[(2R)-2-(hydroxycarbamoyl)cyclopentyl]sulfonylphenyl]-4-nitrobenzamide?
N-[4-[(2R)-2-(hydroxycarbamoyl)cyclopentyl]sulfonylphenyl]-4-nitrobenzamide has a molecular weight of 433.44 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-2-(hydroxycarbamoyl)cyclopentyl]sulfonylphenyl]-4-nitrobenzamide is sourced from PubChem (CID 155547834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).