4-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzenesulfonamide

C11H14BrFN2O3S — CID 116527974

IUPAC4-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CNCCO1)c1ccc(Br)cc1F
InChIInChI=1S/C11H14BrFN2O3S/c12-8-1-2-11(10(13)5-8)19(16,17)15-7-9-6-14-3-4-18-9/h1-2,5,9,14-15H,3-4,6-7H2
InChIKeyMMJXBKMAHHFNIW-UHFFFAOYSA-N
MW353.21 g/mol
LogP0.85
Rot. Bonds4

About 4-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzenesulfonamide

4-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzenesulfonamide (PubChem CID 116527974) has the molecular formula C11H14BrFN2O3S and a molecular weight of 353.21 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzenesulfonamide
PubChem CID116527974
Molecular FormulaC11H14BrFN2O3S
Molecular Weight353.21 g/mol
Exact Mass351.99
IUPAC Name4-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CNCCO1)c1ccc(Br)cc1F
InChIInChI=1S/C11H14BrFN2O3S/c12-8-1-2-11(10(13)5-8)19(16,17)15-7-9-6-14-3-4-18-9/h1-2,5,9,14-15H,3-4,6-7H2
InChIKeyMMJXBKMAHHFNIW-UHFFFAOYSA-N
XLogP0.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 116528706
2,5-dibromo-N-(morpholin-2-ylmethyl)thiophene-3-sulfonamide
CID 115323961
2,5-dibromo-4-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide
CID 115323952
4-cyano-2-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide
CID 106999010
5-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzamide
CID 113287101
3-bromo-4-methoxy-N-(morpholin-2-ylmethyl)benzenesulfonamide
CID 115323988
5-bromo-4-chloro-N-(morpholin-2-ylmethyl)thiophene-2-sulfonamide
CID 115323934
4-bromo-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 116528715
4-bromo-N-ethyl-2-fluorobenzenesulfonamide
CID 116527445
N-[[(2S)-morpholin-2-yl]methyl]methanesulfonamide
CID 93215764
4-bromo-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 42999359
N-(morpholin-2-ylmethyl)-4-propan-2-ylbenzenesulfonamide
CID 115323924

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzenesulfonamide (CID 116527974) is 4-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCC1CNCCO1)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzenesulfonamide?
The InChIKey is MMJXBKMAHHFNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O3S/c12-8-1-2-11(10(13)5-8)19(16,17)15-7-9-6-14-3-4-18-9/h1-2,5,9,14-15H,3-4,6-7H2.
What are the key properties of 4-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzenesulfonamide?
4-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzenesulfonamide has a molecular weight of 353.21 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 116527974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).