N-(azetidin-3-yl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide

C10H12BrFN2O2S — CID 66186864

IUPACN-(azetidin-3-yl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(C1CNC1)S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C10H12BrFN2O2S/c1-14(8-5-13-6-8)17(15,16)10-3-2-7(12)4-9(10)11/h2-4,8,13H,5-6H2,1H3
InChIKeySZXVHUKZLQQNIW-UHFFFAOYSA-N
MW323.19 g/mol
LogP1.18
Rot. Bonds3

About N-(azetidin-3-yl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide

N-(azetidin-3-yl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 66186864) has the molecular formula C10H12BrFN2O2S and a molecular weight of 323.19 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide
PubChem CID66186864
Molecular FormulaC10H12BrFN2O2S
Molecular Weight323.19 g/mol
Exact Mass321.98
IUPAC NameN-(azetidin-3-yl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(C1CNC1)S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C10H12BrFN2O2S/c1-14(8-5-13-6-8)17(15,16)10-3-2-7(12)4-9(10)11/h2-4,8,13H,5-6H2,1H3
InChIKeySZXVHUKZLQQNIW-UHFFFAOYSA-N
XLogP1.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(azetidin-3-yl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide (CID 66186864) is N-(azetidin-3-yl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide is CN(C1CNC1)S(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of N-(azetidin-3-yl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is SZXVHUKZLQQNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O2S/c1-14(8-5-13-6-8)17(15,16)10-3-2-7(12)4-9(10)11/h2-4,8,13H,5-6H2,1H3.
What are the key properties of N-(azetidin-3-yl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide?
N-(azetidin-3-yl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 323.19 g/mol, XLogP of 1.18, 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)-2-bromo-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 66186864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).