N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-phenoxybenzenesulfonamide

C18H18N2O5S — CID 57391082

IUPACN-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-phenoxybenzenesulfonamide
SMILESO=C1[C@H](NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC=CCN1O
InChIInChI=1S/C18H18N2O5S/c21-18-17(8-4-5-13-20(18)22)19-26(23,24)16-11-9-15(10-12-16)25-14-6-2-1-3-7-14/h1-7,9-12,17,19,22H,8,13H2/t17-/m1/s1
InChIKeyQHXQILHKQUVTBK-QGZVFWFLSA-N
MW374.42 g/mol
LogP2.30
Rot. Bonds5

About N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-phenoxybenzenesulfonamide

N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-phenoxybenzenesulfonamide (PubChem CID 57391082) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-phenoxybenzenesulfonamide
PubChem CID57391082
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC NameN-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-phenoxybenzenesulfonamide
SMILESO=C1[C@H](NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC=CCN1O
InChIInChI=1S/C18H18N2O5S/c21-18-17(8-4-5-13-20(18)22)19-26(23,24)16-11-9-15(10-12-16)25-14-6-2-1-3-7-14/h1-7,9-12,17,19,22H,8,13H2/t17-/m1/s1
InChIKeyQHXQILHKQUVTBK-QGZVFWFLSA-N
XLogP2.30
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-phenoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-phenoxybenzenesulfonamide?
The IUPAC name of N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-phenoxybenzenesulfonamide (CID 57391082) is N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-phenoxybenzenesulfonamide.
What is the SMILES notation for N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-phenoxybenzenesulfonamide?
The canonical SMILES for N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-phenoxybenzenesulfonamide is O=C1[C@H](NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC=CCN1O.
What is the InChIKey of N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-phenoxybenzenesulfonamide?
The InChIKey is QHXQILHKQUVTBK-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18N2O5S/c21-18-17(8-4-5-13-20(18)22)19-26(23,24)16-11-9-15(10-12-16)25-14-6-2-1-3-7-14/h1-7,9-12,17,19,22H,8,13H2/t17-/m1/s1.
What are the key properties of N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-phenoxybenzenesulfonamide?
N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-phenoxybenzenesulfonamide has a molecular weight of 374.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-phenoxybenzenesulfonamide is sourced from PubChem (CID 57391082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).