4-bromo-N-(oxan-2-yloxy)benzenesulfonamide

C11H14BrNO4S — CID 59030927

IUPAC4-bromo-N-(oxan-2-yloxy)benzenesulfonamide
SMILESO=S(=O)(NOC1CCCCO1)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO4S/c12-9-4-6-10(7-5-9)18(14,15)13-17-11-3-1-2-8-16-11/h4-7,11,13H,1-3,8H2
InChIKeyKVBFSWAEFMDPCZ-UHFFFAOYSA-N
MW336.21 g/mol
LogP2.19
Rot. Bonds4

About 4-bromo-N-(oxan-2-yloxy)benzenesulfonamide

4-bromo-N-(oxan-2-yloxy)benzenesulfonamide (PubChem CID 59030927) has the molecular formula C11H14BrNO4S and a molecular weight of 336.21 g/mol. Its IUPAC name is 4-bromo-N-(oxan-2-yloxy)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(oxan-2-yloxy)benzenesulfonamide
PubChem CID59030927
Molecular FormulaC11H14BrNO4S
Molecular Weight336.21 g/mol
Exact Mass334.98
IUPAC Name4-bromo-N-(oxan-2-yloxy)benzenesulfonamide
SMILESO=S(=O)(NOC1CCCCO1)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO4S/c12-9-4-6-10(7-5-9)18(14,15)13-17-11-3-1-2-8-16-11/h4-7,11,13H,1-3,8H2
InChIKeyKVBFSWAEFMDPCZ-UHFFFAOYSA-N
XLogP2.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(oxan-2-yloxy)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(oxan-2-yloxy)benzenesulfonamide (CID 59030927) is 4-bromo-N-(oxan-2-yloxy)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(oxan-2-yloxy)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(oxan-2-yloxy)benzenesulfonamide is O=S(=O)(NOC1CCCCO1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(oxan-2-yloxy)benzenesulfonamide?
The InChIKey is KVBFSWAEFMDPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4S/c12-9-4-6-10(7-5-9)18(14,15)13-17-11-3-1-2-8-16-11/h4-7,11,13H,1-3,8H2.
What are the key properties of 4-bromo-N-(oxan-2-yloxy)benzenesulfonamide?
4-bromo-N-(oxan-2-yloxy)benzenesulfonamide has a molecular weight of 336.21 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(oxan-2-yloxy)benzenesulfonamide is sourced from PubChem (CID 59030927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).