N-(azetidin-3-yl)-5-bromo-N,2-dimethylbenzenesulfonamide

C11H15BrN2O2S — CID 66188282

IUPACN-(azetidin-3-yl)-5-bromo-N,2-dimethylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)N(C)C1CNC1
InChIInChI=1S/C11H15BrN2O2S/c1-8-3-4-9(12)5-11(8)17(15,16)14(2)10-6-13-7-10/h3-5,10,13H,6-7H2,1-2H3
InChIKeyOUQQXVCIDFCEEF-UHFFFAOYSA-N
MW319.22 g/mol
LogP1.35
Rot. Bonds3

About N-(azetidin-3-yl)-5-bromo-N,2-dimethylbenzenesulfonamide

N-(azetidin-3-yl)-5-bromo-N,2-dimethylbenzenesulfonamide (PubChem CID 66188282) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is N-(azetidin-3-yl)-5-bromo-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-5-bromo-N,2-dimethylbenzenesulfonamide
PubChem CID66188282
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC NameN-(azetidin-3-yl)-5-bromo-N,2-dimethylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)N(C)C1CNC1
InChIInChI=1S/C11H15BrN2O2S/c1-8-3-4-9(12)5-11(8)17(15,16)14(2)10-6-13-7-10/h3-5,10,13H,6-7H2,1-2H3
InChIKeyOUQQXVCIDFCEEF-UHFFFAOYSA-N
XLogP1.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide
CID 102635699
N-(azetidin-3-yl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 66186864
4-bromo-N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide
CID 119979113
5-bromo-2-ethoxy-N-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 63644419
5-bromo-2-ethoxy-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606983
2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopropylamino]acetic acid
CID 54945012
4-bromo-N-methyl-2-nitro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119978996
N,2-dimethyl-5-nitro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978596
5-bromo-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzenesulfonamide
CID 79386697
N-(azetidin-3-yl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide
CID 103100467
5-bromo-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide
CID 62334094
4-bromo-N,2-dimethyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide
CID 99634312

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-5-bromo-N,2-dimethylbenzenesulfonamide?
The IUPAC name of N-(azetidin-3-yl)-5-bromo-N,2-dimethylbenzenesulfonamide (CID 66188282) is N-(azetidin-3-yl)-5-bromo-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-5-bromo-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-5-bromo-N,2-dimethylbenzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)N(C)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-5-bromo-N,2-dimethylbenzenesulfonamide?
The InChIKey is OUQQXVCIDFCEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c1-8-3-4-9(12)5-11(8)17(15,16)14(2)10-6-13-7-10/h3-5,10,13H,6-7H2,1-2H3.
What are the key properties of N-(azetidin-3-yl)-5-bromo-N,2-dimethylbenzenesulfonamide?
N-(azetidin-3-yl)-5-bromo-N,2-dimethylbenzenesulfonamide has a molecular weight of 319.22 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-5-bromo-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 66188282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).