N-hydroxy-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

C22H20N2O4S — CID 23523891

IUPACN-hydroxy-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESO=C(NO)C1Cc2ccccc2CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H20N2O4S/c25-22(23-26)21-14-18-8-4-5-9-19(18)15-24(21)29(27,28)20-12-10-17(11-13-20)16-6-2-1-3-7-16/h1-13,21,26H,14-15H2,(H,23,25)
InChIKeyRNWNGVUCFRPGIO-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.97
Rot. Bonds4

About N-hydroxy-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

N-hydroxy-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 23523891) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-hydroxy-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
PubChem CID23523891
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC NameN-hydroxy-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESO=C(NO)C1Cc2ccccc2CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H20N2O4S/c25-22(23-26)21-14-18-8-4-5-9-19(18)15-24(21)29(27,28)20-12-10-17(11-13-20)16-6-2-1-3-7-16/h1-13,21,26H,14-15H2,(H,23,25)
InChIKeyRNWNGVUCFRPGIO-UHFFFAOYSA-N
XLogP2.97
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The IUPAC name of N-hydroxy-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 23523891) is N-hydroxy-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide.
What is the SMILES notation for N-hydroxy-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The canonical SMILES for N-hydroxy-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide is O=C(NO)C1Cc2ccccc2CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-hydroxy-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The InChIKey is RNWNGVUCFRPGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S/c25-22(23-26)21-14-18-8-4-5-9-19(18)15-24(21)29(27,28)20-12-10-17(11-13-20)16-6-2-1-3-7-16/h1-13,21,26H,14-15H2,(H,23,25).
What are the key properties of N-hydroxy-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?
N-hydroxy-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 23523891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).