3-bromo-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide

C11H14BrNO3S — CID 31481223

IUPAC3-bromo-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@@H]1CCCO1)c1cccc(Br)c1
InChIInChI=1S/C11H14BrNO3S/c12-9-3-1-5-11(7-9)17(14,15)13-8-10-4-2-6-16-10/h1,3,5,7,10,13H,2,4,6,8H2/t10-/m0/s1
InChIKeyALYLGCGWVOQGEL-JTQLQIEISA-N
MW320.21 g/mol
LogP1.91
Rot. Bonds4

About 3-bromo-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide

3-bromo-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide (PubChem CID 31481223) has the molecular formula C11H14BrNO3S and a molecular weight of 320.21 g/mol. Its IUPAC name is 3-bromo-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
PubChem CID31481223
Molecular FormulaC11H14BrNO3S
Molecular Weight320.21 g/mol
Exact Mass318.99
IUPAC Name3-bromo-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@@H]1CCCO1)c1cccc(Br)c1
InChIInChI=1S/C11H14BrNO3S/c12-9-3-1-5-11(7-9)17(14,15)13-8-10-4-2-6-16-10/h1,3,5,7,10,13H,2,4,6,8H2/t10-/m0/s1
InChIKeyALYLGCGWVOQGEL-JTQLQIEISA-N
XLogP1.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 47406414
N-(oxolan-2-ylmethyl)-3-[3-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylbenzenesulfonamide
CID 20967101
N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42910274
N-[(4-bromothiophen-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55867907
3-bromo-5-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7174653
3-cyano-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 47406410
N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 110865617
3-(1-hydroxypropyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 60874373
3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzenesulfonamide
CID 115630805
3-[[(2-bromobenzoyl)amino]carbamoyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 46652327
4-bromo-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 42999359
3-(azepane-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43002594

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 3-bromo-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide (CID 31481223) is 3-bromo-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide is O=S(=O)(NC[C@@H]1CCCO1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide?
The InChIKey is ALYLGCGWVOQGEL-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14BrNO3S/c12-9-3-1-5-11(7-9)17(14,15)13-8-10-4-2-6-16-10/h1,3,5,7,10,13H,2,4,6,8H2/t10-/m0/s1.
What are the key properties of 3-bromo-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide?
3-bromo-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide has a molecular weight of 320.21 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 31481223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).