N-(4-bromopentyl)oxane-4-sulfonamide

C10H20BrNO3S — CID 106135762

IUPACN-(4-bromopentyl)oxane-4-sulfonamide
SMILESCC(Br)CCCNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C10H20BrNO3S/c1-9(11)3-2-6-12-16(13,14)10-4-7-15-8-5-10/h9-10,12H,2-8H2,1H3
InChIKeyGTSJXIZJHPSZEV-UHFFFAOYSA-N
MW314.25 g/mol
LogP1.65
Rot. Bonds6

About N-(4-bromopentyl)oxane-4-sulfonamide

N-(4-bromopentyl)oxane-4-sulfonamide (PubChem CID 106135762) has the molecular formula C10H20BrNO3S and a molecular weight of 314.25 g/mol. Its IUPAC name is N-(4-bromopentyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(4-bromopentyl)oxane-4-sulfonamide
PubChem CID106135762
Molecular FormulaC10H20BrNO3S
Molecular Weight314.25 g/mol
Exact Mass313.03
IUPAC NameN-(4-bromopentyl)oxane-4-sulfonamide
SMILESCC(Br)CCCNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C10H20BrNO3S/c1-9(11)3-2-6-12-16(13,14)10-4-7-15-8-5-10/h9-10,12H,2-8H2,1H3
InChIKeyGTSJXIZJHPSZEV-UHFFFAOYSA-N
XLogP1.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromopentyl)oxane-4-sulfonamide?
The IUPAC name of N-(4-bromopentyl)oxane-4-sulfonamide (CID 106135762) is N-(4-bromopentyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(4-bromopentyl)oxane-4-sulfonamide?
The canonical SMILES for N-(4-bromopentyl)oxane-4-sulfonamide is CC(Br)CCCNS(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(4-bromopentyl)oxane-4-sulfonamide?
The InChIKey is GTSJXIZJHPSZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO3S/c1-9(11)3-2-6-12-16(13,14)10-4-7-15-8-5-10/h9-10,12H,2-8H2,1H3.
What are the key properties of N-(4-bromopentyl)oxane-4-sulfonamide?
N-(4-bromopentyl)oxane-4-sulfonamide has a molecular weight of 314.25 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromopentyl)oxane-4-sulfonamide is sourced from PubChem (CID 106135762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).