4-bromo-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide

C12H16BrFN2O3S — CID 116528706

IUPAC4-bromo-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
SMILESCN1CCOC(CNS(=O)(=O)c2ccc(Br)cc2F)C1
InChIInChI=1S/C12H16BrFN2O3S/c1-16-4-5-19-10(8-16)7-15-20(17,18)12-3-2-9(13)6-11(12)14/h2-3,6,10,15H,4-5,7-8H2,1H3
InChIKeyYBGZCBOLVWGOIC-UHFFFAOYSA-N
MW367.24 g/mol
LogP1.20
Rot. Bonds4

About 4-bromo-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide

4-bromo-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide (PubChem CID 116528706) has the molecular formula C12H16BrFN2O3S and a molecular weight of 367.24 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
PubChem CID116528706
Molecular FormulaC12H16BrFN2O3S
Molecular Weight367.24 g/mol
Exact Mass366.00
IUPAC Name4-bromo-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
SMILESCN1CCOC(CNS(=O)(=O)c2ccc(Br)cc2F)C1
InChIInChI=1S/C12H16BrFN2O3S/c1-16-4-5-19-10(8-16)7-15-20(17,18)12-3-2-9(13)6-11(12)14/h2-3,6,10,15H,4-5,7-8H2,1H3
InChIKeyYBGZCBOLVWGOIC-UHFFFAOYSA-N
XLogP1.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79083271
5-amino-2,3-difluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79080372
4-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzenesulfonamide
CID 116527974
5-amino-4-bromo-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 114625895
2-(aminomethyl)-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79078860
4-(aminomethyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 106997035
5-bromo-4-[(4-methylmorpholin-2-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 79079920
2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 81245074
N-[(5-bromo-2-fluorophenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95277799
4-bromo-2-fluoro-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 103270066
4-bromo-2-fluoro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 116528485
4-bromo-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 116528715

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide (CID 116528706) is 4-bromo-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide is CN1CCOC(CNS(=O)(=O)c2ccc(Br)cc2F)C1.
What is the InChIKey of 4-bromo-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide?
The InChIKey is YBGZCBOLVWGOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O3S/c1-16-4-5-19-10(8-16)7-15-20(17,18)12-3-2-9(13)6-11(12)14/h2-3,6,10,15H,4-5,7-8H2,1H3.
What are the key properties of 4-bromo-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide?
4-bromo-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide has a molecular weight of 367.24 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 116528706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).