4-bromo-2-fluoro-N-[(3R)-3-methyloxolan-3-yl]benzenesulfonamide

C11H13BrFNO3S — CID 99699366

IUPAC4-bromo-2-fluoro-N-[(3R)-3-methyloxolan-3-yl]benzenesulfonamide
SMILESC[C@@]1(NS(=O)(=O)c2ccc(Br)cc2F)CCOC1
InChIInChI=1S/C11H13BrFNO3S/c1-11(4-5-17-7-11)14-18(15,16)10-3-2-8(12)6-9(10)13/h2-3,6,14H,4-5,7H2,1H3/t11-/m1/s1
InChIKeyLTXXOLAQJWAMKI-LLVKDONJSA-N
MW338.20 g/mol
LogP2.05
Rot. Bonds3

About 4-bromo-2-fluoro-N-[(3R)-3-methyloxolan-3-yl]benzenesulfonamide

4-bromo-2-fluoro-N-[(3R)-3-methyloxolan-3-yl]benzenesulfonamide (PubChem CID 99699366) has the molecular formula C11H13BrFNO3S and a molecular weight of 338.20 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-[(3R)-3-methyloxolan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-[(3R)-3-methyloxolan-3-yl]benzenesulfonamide
PubChem CID99699366
Molecular FormulaC11H13BrFNO3S
Molecular Weight338.20 g/mol
Exact Mass336.98
IUPAC Name4-bromo-2-fluoro-N-[(3R)-3-methyloxolan-3-yl]benzenesulfonamide
SMILESC[C@@]1(NS(=O)(=O)c2ccc(Br)cc2F)CCOC1
InChIInChI=1S/C11H13BrFNO3S/c1-11(4-5-17-7-11)14-18(15,16)10-3-2-8(12)6-9(10)13/h2-3,6,14H,4-5,7H2,1H3/t11-/m1/s1
InChIKeyLTXXOLAQJWAMKI-LLVKDONJSA-N
XLogP2.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-[(3R)-3-methyloxolan-3-yl]benzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-[(3R)-3-methyloxolan-3-yl]benzenesulfonamide (CID 99699366) is 4-bromo-2-fluoro-N-[(3R)-3-methyloxolan-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-[(3R)-3-methyloxolan-3-yl]benzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-[(3R)-3-methyloxolan-3-yl]benzenesulfonamide is C[C@@]1(NS(=O)(=O)c2ccc(Br)cc2F)CCOC1.
What is the InChIKey of 4-bromo-2-fluoro-N-[(3R)-3-methyloxolan-3-yl]benzenesulfonamide?
The InChIKey is LTXXOLAQJWAMKI-LLVKDONJSA-N. The full InChI is InChI=1S/C11H13BrFNO3S/c1-11(4-5-17-7-11)14-18(15,16)10-3-2-8(12)6-9(10)13/h2-3,6,14H,4-5,7H2,1H3/t11-/m1/s1.
What are the key properties of 4-bromo-2-fluoro-N-[(3R)-3-methyloxolan-3-yl]benzenesulfonamide?
4-bromo-2-fluoro-N-[(3R)-3-methyloxolan-3-yl]benzenesulfonamide has a molecular weight of 338.20 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-[(3R)-3-methyloxolan-3-yl]benzenesulfonamide is sourced from PubChem (CID 99699366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).