5-bromo-2-(oxolan-3-yloxy)benzenesulfonamide

C10H12BrNO4S — CID 63559381

IUPAC5-bromo-2-(oxolan-3-yloxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)ccc1OC1CCOC1
InChIInChI=1S/C10H12BrNO4S/c11-7-1-2-9(10(5-7)17(12,13)14)16-8-3-4-15-6-8/h1-2,5,8H,3-4,6H2,(H2,12,13,14)
InChIKeyMRHSTDIKMYIBNI-UHFFFAOYSA-N
MW322.18 g/mol
LogP1.26
Rot. Bonds3

About 5-bromo-2-(oxolan-3-yloxy)benzenesulfonamide

5-bromo-2-(oxolan-3-yloxy)benzenesulfonamide (PubChem CID 63559381) has the molecular formula C10H12BrNO4S and a molecular weight of 322.18 g/mol. Its IUPAC name is 5-bromo-2-(oxolan-3-yloxy)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-(oxolan-3-yloxy)benzenesulfonamide
PubChem CID63559381
Molecular FormulaC10H12BrNO4S
Molecular Weight322.18 g/mol
Exact Mass320.97
IUPAC Name5-bromo-2-(oxolan-3-yloxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)ccc1OC1CCOC1
InChIInChI=1S/C10H12BrNO4S/c11-7-1-2-9(10(5-7)17(12,13)14)16-8-3-4-15-6-8/h1-2,5,8H,3-4,6H2,(H2,12,13,14)
InChIKeyMRHSTDIKMYIBNI-UHFFFAOYSA-N
XLogP1.26
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-(oxolan-3-yloxy)benzenesulfonamide
CID 63557171
5-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenesulfonamide
CID 79900573
5-tert-butyl-2-methyl-4-(oxolan-3-yloxy)benzenesulfonamide
CID 63557177
(1R)-1-[5-bromo-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556778
3-(5-bromo-2-fluorophenoxy)oxolane
CID 114672573
5-nitro-2-(oxan-4-yloxy)benzenesulfonamide
CID 63937462
5-bromo-2-(oxan-3-yloxy)benzaldehyde
CID 107134803
(1R)-1-[3-bromo-4-(oxolan-3-yloxy)phenyl]ethanamine
CID 78945077
(3S)-3-(2-bromo-5-fluorophenoxy)oxolane
CID 118590561
5-bromo-2-(oxetan-3-yloxy)aniline
CID 115669715
5-bromo-2-methoxy-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 78947897
3-bromo-4-(oxolan-3-yloxy)benzenecarboximidamide
CID 82798806

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(oxolan-3-yloxy)benzenesulfonamide?
The IUPAC name of 5-bromo-2-(oxolan-3-yloxy)benzenesulfonamide (CID 63559381) is 5-bromo-2-(oxolan-3-yloxy)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-(oxolan-3-yloxy)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-(oxolan-3-yloxy)benzenesulfonamide is NS(=O)(=O)c1cc(Br)ccc1OC1CCOC1.
What is the InChIKey of 5-bromo-2-(oxolan-3-yloxy)benzenesulfonamide?
The InChIKey is MRHSTDIKMYIBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO4S/c11-7-1-2-9(10(5-7)17(12,13)14)16-8-3-4-15-6-8/h1-2,5,8H,3-4,6H2,(H2,12,13,14).
What are the key properties of 5-bromo-2-(oxolan-3-yloxy)benzenesulfonamide?
5-bromo-2-(oxolan-3-yloxy)benzenesulfonamide has a molecular weight of 322.18 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(oxolan-3-yloxy)benzenesulfonamide is sourced from PubChem (CID 63559381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).