N-[4-(2,6-dioxopiperidin-4-yl)phenyl]azepane-1-sulfonamide

C17H23N3O4S — CID 154736424

IUPACN-[4-(2,6-dioxopiperidin-4-yl)phenyl]azepane-1-sulfonamide
SMILESO=C1CC(c2ccc(NS(=O)(=O)N3CCCCCC3)cc2)CC(=O)N1
InChIInChI=1S/C17H23N3O4S/c21-16-11-14(12-17(22)18-16)13-5-7-15(8-6-13)19-25(23,24)20-9-3-1-2-4-10-20/h5-8,14,19H,1-4,9-12H2,(H,18,21,22)
InChIKeySROKRFSMICUCFS-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.74
Rot. Bonds4

About N-[4-(2,6-dioxopiperidin-4-yl)phenyl]azepane-1-sulfonamide

N-[4-(2,6-dioxopiperidin-4-yl)phenyl]azepane-1-sulfonamide (PubChem CID 154736424) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[4-(2,6-dioxopiperidin-4-yl)phenyl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(2,6-dioxopiperidin-4-yl)phenyl]azepane-1-sulfonamide
PubChem CID154736424
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC NameN-[4-(2,6-dioxopiperidin-4-yl)phenyl]azepane-1-sulfonamide
SMILESO=C1CC(c2ccc(NS(=O)(=O)N3CCCCCC3)cc2)CC(=O)N1
InChIInChI=1S/C17H23N3O4S/c21-16-11-14(12-17(22)18-16)13-5-7-15(8-6-13)19-25(23,24)20-9-3-1-2-4-10-20/h5-8,14,19H,1-4,9-12H2,(H,18,21,22)
InChIKeySROKRFSMICUCFS-UHFFFAOYSA-N
XLogP1.74
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dioxopiperidin-4-yl)phenyl]azepane-1-sulfonamide?
The IUPAC name of N-[4-(2,6-dioxopiperidin-4-yl)phenyl]azepane-1-sulfonamide (CID 154736424) is N-[4-(2,6-dioxopiperidin-4-yl)phenyl]azepane-1-sulfonamide.
What is the SMILES notation for N-[4-(2,6-dioxopiperidin-4-yl)phenyl]azepane-1-sulfonamide?
The canonical SMILES for N-[4-(2,6-dioxopiperidin-4-yl)phenyl]azepane-1-sulfonamide is O=C1CC(c2ccc(NS(=O)(=O)N3CCCCCC3)cc2)CC(=O)N1.
What is the InChIKey of N-[4-(2,6-dioxopiperidin-4-yl)phenyl]azepane-1-sulfonamide?
The InChIKey is SROKRFSMICUCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c21-16-11-14(12-17(22)18-16)13-5-7-15(8-6-13)19-25(23,24)20-9-3-1-2-4-10-20/h5-8,14,19H,1-4,9-12H2,(H,18,21,22).
What are the key properties of N-[4-(2,6-dioxopiperidin-4-yl)phenyl]azepane-1-sulfonamide?
N-[4-(2,6-dioxopiperidin-4-yl)phenyl]azepane-1-sulfonamide has a molecular weight of 365.46 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dioxopiperidin-4-yl)phenyl]azepane-1-sulfonamide is sourced from PubChem (CID 154736424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).