N-(6-bromohexyl)oxane-4-sulfonamide

C11H22BrNO3S — CID 107848871

IUPACN-(6-bromohexyl)oxane-4-sulfonamide
SMILESO=S(=O)(NCCCCCCBr)C1CCOCC1
InChIInChI=1S/C11H22BrNO3S/c12-7-3-1-2-4-8-13-17(14,15)11-5-9-16-10-6-11/h11,13H,1-10H2
InChIKeyNSYMMRWIONOMAB-UHFFFAOYSA-N
MW328.27 g/mol
LogP2.04
Rot. Bonds8

About N-(6-bromohexyl)oxane-4-sulfonamide

N-(6-bromohexyl)oxane-4-sulfonamide (PubChem CID 107848871) has the molecular formula C11H22BrNO3S and a molecular weight of 328.27 g/mol. Its IUPAC name is N-(6-bromohexyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(6-bromohexyl)oxane-4-sulfonamide
PubChem CID107848871
Molecular FormulaC11H22BrNO3S
Molecular Weight328.27 g/mol
Exact Mass327.05
IUPAC NameN-(6-bromohexyl)oxane-4-sulfonamide
SMILESO=S(=O)(NCCCCCCBr)C1CCOCC1
InChIInChI=1S/C11H22BrNO3S/c12-7-3-1-2-4-8-13-17(14,15)11-5-9-16-10-6-11/h11,13H,1-10H2
InChIKeyNSYMMRWIONOMAB-UHFFFAOYSA-N
XLogP2.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 52.04
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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Related Compounds

N-(6-bromohexyl)cyclohexanesulfonamide
CID 107848725
N-(4-iodobutyl)oxane-4-sulfonamide
CID 106846685
4-(oxan-4-ylsulfonylamino)butanethioamide
CID 62666040
N-[[1-(2-bromoethyl)cyclopropyl]methyl]oxane-4-sulfonamide
CID 114758693
N-(4-bromobutyl)oxane-4-carboxamide
CID 106845809
N-[2-(3-hydroxypropylsulfanyl)ethyl]oxane-4-sulfonamide
CID 113317319
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]oxane-4-sulfonamide
CID 95617460
N-[2-(2-chloroethoxy)ethyl]oxane-4-sulfonamide
CID 65033634
N-(6-bromohexyl)-1-cyclopropylmethanesulfonamide
CID 107848846
N-(2-bromoethyl)-1,1-dioxothiane-4-sulfonamide
CID 62084947
5-bromo-N-(oxan-4-ylmethyl)pentan-1-amine
CID 107320411
N-(2-bromo-2-cyclopropylethyl)oxane-4-sulfonamide
CID 114294616

Frequently Asked Questions

What is the IUPAC name of N-(6-bromohexyl)oxane-4-sulfonamide?
The IUPAC name of N-(6-bromohexyl)oxane-4-sulfonamide (CID 107848871) is N-(6-bromohexyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(6-bromohexyl)oxane-4-sulfonamide?
The canonical SMILES for N-(6-bromohexyl)oxane-4-sulfonamide is O=S(=O)(NCCCCCCBr)C1CCOCC1.
What is the InChIKey of N-(6-bromohexyl)oxane-4-sulfonamide?
The InChIKey is NSYMMRWIONOMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO3S/c12-7-3-1-2-4-8-13-17(14,15)11-5-9-16-10-6-11/h11,13H,1-10H2.
What are the key properties of N-(6-bromohexyl)oxane-4-sulfonamide?
N-(6-bromohexyl)oxane-4-sulfonamide has a molecular weight of 328.27 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromohexyl)oxane-4-sulfonamide is sourced from PubChem (CID 107848871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).