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

C19H20N2O6S — CID 57392880

IUPACN-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-(4-methoxyphenoxy)benzenesulfonamide
SMILESCOc1ccc(Oc2ccc(S(=O)(=O)N[C@@H]3CC=CCN(O)C3=O)cc2)cc1
InChIInChI=1S/C19H20N2O6S/c1-26-14-5-7-15(8-6-14)27-16-9-11-17(12-10-16)28(24,25)20-18-4-2-3-13-21(23)19(18)22/h2-3,5-12,18,20,23H,4,13H2,1H3/t18-/m1/s1
InChIKeyQOXMDHVVENYQFJ-GOSISDBHSA-N
MW404.44 g/mol
LogP2.31
Rot. Bonds6

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

N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-(4-methoxyphenoxy)benzenesulfonamide (PubChem CID 57392880) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-(4-methoxyphenoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-(4-methoxyphenoxy)benzenesulfonamide
PubChem CID57392880
Molecular FormulaC19H20N2O6S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC NameN-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-(4-methoxyphenoxy)benzenesulfonamide
SMILESCOc1ccc(Oc2ccc(S(=O)(=O)N[C@@H]3CC=CCN(O)C3=O)cc2)cc1
InChIInChI=1S/C19H20N2O6S/c1-26-14-5-7-15(8-6-14)27-16-9-11-17(12-10-16)28(24,25)20-18-4-2-3-13-21(23)19(18)22/h2-3,5-12,18,20,23H,4,13H2,1H3/t18-/m1/s1
InChIKeyQOXMDHVVENYQFJ-GOSISDBHSA-N
XLogP2.31
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(4-methoxyphenoxy)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

(1n)-4-N-Butoxyphenylsulfonyl-(2r)-N-Hydroxycarboxamido-(4s)-Methanesulfonylamino-Pyrrolidine
CID 5287415
(2R)-N-hydroxy-3-methyl-2-[(4-phenoxybenzene)sulfonamido]butanamide
CID 6539670
N-hydroxy-2-{[4-(3-methylbutoxy)benzene](2-methylpropyl)sulfonamido}acetamide
CID 10667012
N-hydroxy-2-[[4-hexyloxybenzenesulfonyl](isobutyl)amino]acetamide
CID 10738924
2-[(4-butoxybenzene)(2-methylpropyl)sulfonamido]-N-hydroxyacetamide
CID 10784639
4-acetyl-N-hydroxy-1-(4-methoxyphenylsulfonyl)piperazine-2-carboxamide
CID 10522311
N-hydroxy-1-(4-methoxyphenylsulfonyl)piperidine-2-carboxamide
CID 10829071
N-(1-hydroxy-2-oxo-3-pyridinyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide
CID 24852010
(3S)-N-hydroxy-2,2-dimethyl-4-(4-phenoxyphenyl)sulfonylthiomorpholine-3-carboxamide
CID 44564340
4-(4-Chloro-phenoxy)-N-(1-hydroxy-2-oxo-2,3,4,7-tetrahydro-1H-azepin-3-(R)-yl)-benzenesulfonamide
CID 54752446
N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-phenoxybenzenesulfonamide
CID 57391082
2-[butan-2-yl(4-methoxybenzene)sulfonamido]-N-hydroxyacetamide
CID 10686890

Frequently Asked Questions

What is the IUPAC name of N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-(4-methoxyphenoxy)benzenesulfonamide?
The IUPAC name of N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-(4-methoxyphenoxy)benzenesulfonamide (CID 57392880) is N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-(4-methoxyphenoxy)benzenesulfonamide.
What is the SMILES notation for N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-(4-methoxyphenoxy)benzenesulfonamide?
The canonical SMILES for N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-(4-methoxyphenoxy)benzenesulfonamide is COc1ccc(Oc2ccc(S(=O)(=O)N[C@@H]3CC=CCN(O)C3=O)cc2)cc1.
What is the InChIKey of N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-(4-methoxyphenoxy)benzenesulfonamide?
The InChIKey is QOXMDHVVENYQFJ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20N2O6S/c1-26-14-5-7-15(8-6-14)27-16-9-11-17(12-10-16)28(24,25)20-18-4-2-3-13-21(23)19(18)22/h2-3,5-12,18,20,23H,4,13H2,1H3/t18-/m1/s1.
What are the key properties of N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-(4-methoxyphenoxy)benzenesulfonamide?
N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-(4-methoxyphenoxy)benzenesulfonamide has a molecular weight of 404.44 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 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-(4-methoxyphenoxy)benzenesulfonamide is sourced from PubChem (CID 57392880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).