4-(4-chlorophenoxy)-N-[(3R)-1-hydroxy-2-oxoazepan-3-yl]benzenesulfonamide

C18H19ClN2O5S — CID 57392866

IUPAC4-(4-chlorophenoxy)-N-[(3R)-1-hydroxy-2-oxoazepan-3-yl]benzenesulfonamide
SMILESO=C1[C@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCCCN1O
InChIInChI=1S/C18H19ClN2O5S/c19-13-4-6-14(7-5-13)26-15-8-10-16(11-9-15)27(24,25)20-17-3-1-2-12-21(23)18(17)22/h4-11,17,20,23H,1-3,12H2/t17-/m1/s1
InChIKeySUTULEKUSDXPBW-QGZVFWFLSA-N
MW410.88 g/mol
LogP3.18
Rot. Bonds5

About 4-(4-chlorophenoxy)-N-[(3R)-1-hydroxy-2-oxoazepan-3-yl]benzenesulfonamide

4-(4-chlorophenoxy)-N-[(3R)-1-hydroxy-2-oxoazepan-3-yl]benzenesulfonamide (PubChem CID 57392866) has the molecular formula C18H19ClN2O5S and a molecular weight of 410.88 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N-[(3R)-1-hydroxy-2-oxoazepan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-N-[(3R)-1-hydroxy-2-oxoazepan-3-yl]benzenesulfonamide
PubChem CID57392866
Molecular FormulaC18H19ClN2O5S
Molecular Weight410.88 g/mol
Exact Mass410.07
IUPAC Name4-(4-chlorophenoxy)-N-[(3R)-1-hydroxy-2-oxoazepan-3-yl]benzenesulfonamide
SMILESO=C1[C@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCCCN1O
InChIInChI=1S/C18H19ClN2O5S/c19-13-4-6-14(7-5-13)26-15-8-10-16(11-9-15)27(24,25)20-17-3-1-2-12-21(23)18(17)22/h4-11,17,20,23H,1-3,12H2/t17-/m1/s1
InChIKeySUTULEKUSDXPBW-QGZVFWFLSA-N
XLogP3.18
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4-chlorophenoxy)-N-[(3R)-1-hydroxy-2-oxoazepan-3-yl]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

4-(4-Chloro-phenoxy)-N-(1-hydroxy-6-morpholin-4-ylmethyl-2-oxo-2,3,4,7-tetrahydro-1H-azepin-3-(R)-yl)-benzenesulfonamide
CID 24768595
4-(4-chlorophenoxy)-N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 54752445
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
N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-(4-methoxyphenoxy)benzenesulfonamide
CID 57392880
4-(4-chlorophenoxy)-N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 57403331
4-(4-chlorophenoxy)-N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 57403332
(r)-4-(4-Chloro-phenoxy)-n-(1-hydroxy-2-oxo-piperidin-3-yl)-benzene-sulfonamide
CID 44455124
4-(4-chlorophenoxy)-N-[(6R)-1-hydroxy-3-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl]benzenesulfonamide
CID 57394596
2-[4-(4-Chloro-phenoxy)-benzenesulfonylamino]-N-hydroxy-acetamide
CID 44404541
4-(4-chlorophenoxy)-N-[(6R)-7-oxo-1,2,5,6-tetrahydroazepin-6-yl]benzenesulfonamide
CID 57396348
4-(4-chlorophenoxy)-N-[(6S)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]benzenesulfonamide
CID 57398136

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-N-[(3R)-1-hydroxy-2-oxoazepan-3-yl]benzenesulfonamide?
The IUPAC name of 4-(4-chlorophenoxy)-N-[(3R)-1-hydroxy-2-oxoazepan-3-yl]benzenesulfonamide (CID 57392866) is 4-(4-chlorophenoxy)-N-[(3R)-1-hydroxy-2-oxoazepan-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-N-[(3R)-1-hydroxy-2-oxoazepan-3-yl]benzenesulfonamide?
The canonical SMILES for 4-(4-chlorophenoxy)-N-[(3R)-1-hydroxy-2-oxoazepan-3-yl]benzenesulfonamide is O=C1[C@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCCCN1O.
What is the InChIKey of 4-(4-chlorophenoxy)-N-[(3R)-1-hydroxy-2-oxoazepan-3-yl]benzenesulfonamide?
The InChIKey is SUTULEKUSDXPBW-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19ClN2O5S/c19-13-4-6-14(7-5-13)26-15-8-10-16(11-9-15)27(24,25)20-17-3-1-2-12-21(23)18(17)22/h4-11,17,20,23H,1-3,12H2/t17-/m1/s1.
What are the key properties of 4-(4-chlorophenoxy)-N-[(3R)-1-hydroxy-2-oxoazepan-3-yl]benzenesulfonamide?
4-(4-chlorophenoxy)-N-[(3R)-1-hydroxy-2-oxoazepan-3-yl]benzenesulfonamide has a molecular weight of 410.88 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-N-[(3R)-1-hydroxy-2-oxoazepan-3-yl]benzenesulfonamide is sourced from PubChem (CID 57392866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).