2-bromo-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide

C12H16BrNO3S — CID 91915497

IUPAC2-bromo-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESCN(CC1CCOC1)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C12H16BrNO3S/c1-14(8-10-6-7-17-9-10)18(15,16)12-5-3-2-4-11(12)13/h2-5,10H,6-9H2,1H3
InChIKeyPLZMIIJNKVHNER-UHFFFAOYSA-N
MW334.24 g/mol
LogP2.11
Rot. Bonds4

About 2-bromo-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide

2-bromo-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide (PubChem CID 91915497) has the molecular formula C12H16BrNO3S and a molecular weight of 334.24 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
PubChem CID91915497
Molecular FormulaC12H16BrNO3S
Molecular Weight334.24 g/mol
Exact Mass333.00
IUPAC Name2-bromo-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESCN(CC1CCOC1)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C12H16BrNO3S/c1-14(8-10-6-7-17-9-10)18(15,16)12-5-3-2-4-11(12)13/h2-5,10H,6-9H2,1H3
InChIKeyPLZMIIJNKVHNER-UHFFFAOYSA-N
XLogP2.11
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 91915494
2-bromo-N,5-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 97330561
2-bromo-N,4-dimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63706922
2-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63713361
2-bromo-4-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63707428
2,5-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 102554956
5-fluoro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 110875822
2,5-dibromo-N-ethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47350790
N-(2-aminoethyl)-2-bromo-N-methylbenzenesulfonamide
CID 62688610
2-amino-5-bromo-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63725917
N-methyl-N-(oxolan-3-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 91905749
2-bromo-N-cyclopropyl-N-(oxan-4-yl)benzenesulfonamide
CID 90313297

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide (CID 91915497) is 2-bromo-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide is CN(CC1CCOC1)S(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The InChIKey is PLZMIIJNKVHNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3S/c1-14(8-10-6-7-17-9-10)18(15,16)12-5-3-2-4-11(12)13/h2-5,10H,6-9H2,1H3.
What are the key properties of 2-bromo-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
2-bromo-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide has a molecular weight of 334.24 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 91915497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).