4-bromo-3-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide

C11H13BrFNO3S — CID 103697478

IUPAC4-bromo-3-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCOC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H13BrFNO3S/c12-10-2-1-9(5-11(10)13)18(15,16)14-6-8-3-4-17-7-8/h1-2,5,8,14H,3-4,6-7H2
InChIKeyGTDHFMBXGWKGBN-UHFFFAOYSA-N
MW338.20 g/mol
LogP1.90
Rot. Bonds4

About 4-bromo-3-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide

4-bromo-3-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide (PubChem CID 103697478) has the molecular formula C11H13BrFNO3S and a molecular weight of 338.20 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
PubChem CID103697478
Molecular FormulaC11H13BrFNO3S
Molecular Weight338.20 g/mol
Exact Mass336.98
IUPAC Name4-bromo-3-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCOC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H13BrFNO3S/c12-10-2-1-9(5-11(10)13)18(15,16)14-6-8-3-4-17-7-8/h1-2,5,8,14H,3-4,6-7H2
InChIKeyGTDHFMBXGWKGBN-UHFFFAOYSA-N
XLogP1.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(1,4-dioxan-2-ylmethyl)-3-fluorobenzenesulfonamide
CID 103697427
4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106126987
3-amino-4-bromo-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 115329018
N-(oxolan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 47203478
4-amino-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61114420
N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203502
3-bromo-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide
CID 163393416
3,4-dimethoxy-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203510
4-bromo-3-fluoro-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968667
N-[[(3R)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 94061219
4-fluoro-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 47072817
2-amino-N-(oxolan-3-ylmethyl)pyridine-4-sulfonamide
CID 55119398

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-3-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide (CID 103697478) is 4-bromo-3-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-3-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide is O=S(=O)(NCC1CCOC1)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The InChIKey is GTDHFMBXGWKGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO3S/c12-10-2-1-9(5-11(10)13)18(15,16)14-6-8-3-4-17-7-8/h1-2,5,8,14H,3-4,6-7H2.
What are the key properties of 4-bromo-3-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide?
4-bromo-3-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide has a molecular weight of 338.20 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 103697478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).