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'}

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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).