2,4-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide

C11H13Br2NO3S — CID 82736291

IUPAC2,4-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCC1OCCC1NS(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C11H13Br2NO3S/c1-7-10(4-5-17-7)14-18(15,16)11-3-2-8(12)6-9(11)13/h2-3,6-7,10,14H,4-5H2,1H3
InChIKeyVKIFKKCKKDOXRZ-UHFFFAOYSA-N
MW399.10 g/mol
LogP2.67
Rot. Bonds3

About 2,4-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide

2,4-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide (PubChem CID 82736291) has the molecular formula C11H13Br2NO3S and a molecular weight of 399.10 g/mol. Its IUPAC name is 2,4-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide
PubChem CID82736291
Molecular FormulaC11H13Br2NO3S
Molecular Weight399.10 g/mol
Exact Mass396.90
IUPAC Name2,4-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCC1OCCC1NS(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C11H13Br2NO3S/c1-7-10(4-5-17-7)14-18(15,16)11-3-2-8(12)6-9(11)13/h2-3,6-7,10,14H,4-5H2,1H3
InChIKeyVKIFKKCKKDOXRZ-UHFFFAOYSA-N
XLogP2.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.10
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-aminocyclohexyl]-2,4-dibromobenzenesulfonamide
CID 93453140
5-(aminomethyl)-2-bromo-N-(2-methyloxolan-3-yl)furan-3-sulfonamide
CID 106076206
4-amino-2,6-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82725622
2,4-dibromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79356703
2,4-dibromo-N-(2-methyloxolan-3-yl)benzamide
CID 103883477
5-bromo-4-[(2-methyloxolan-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 82725833
3-amino-2-bromo-5-chloro-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82725620
2-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076318
5-amino-2,4-difluoro-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82725317
2,4-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 61059201
4-methyl-3-[(2-methyloxolan-3-yl)sulfamoyl]benzoic acid
CID 82726035
5-bromo-N-(2-methyloxolan-3-yl)-2-(propylamino)pyridine-3-sulfonamide
CID 82729058

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide (CID 82736291) is 2,4-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide is CC1OCCC1NS(=O)(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The InChIKey is VKIFKKCKKDOXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO3S/c1-7-10(4-5-17-7)14-18(15,16)11-3-2-8(12)6-9(11)13/h2-3,6-7,10,14H,4-5H2,1H3.
What are the key properties of 2,4-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide?
2,4-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide has a molecular weight of 399.10 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 82736291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).