4-bromo-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide

C9H11BrFNO3S — CID 116527699

IUPAC4-bromo-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
SMILESCN(CCO)S(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C9H11BrFNO3S/c1-12(4-5-13)16(14,15)9-3-2-7(10)6-8(9)11/h2-3,6,13H,4-5H2,1H3
InChIKeyFVHLYIDLALRSIA-UHFFFAOYSA-N
MW312.16 g/mol
LogP1.20
Rot. Bonds4

About 4-bromo-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide

4-bromo-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide (PubChem CID 116527699) has the molecular formula C9H11BrFNO3S and a molecular weight of 312.16 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
PubChem CID116527699
Molecular FormulaC9H11BrFNO3S
Molecular Weight312.16 g/mol
Exact Mass310.96
IUPAC Name4-bromo-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
SMILESCN(CCO)S(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C9H11BrFNO3S/c1-12(4-5-13)16(14,15)9-3-2-7(10)6-8(9)11/h2-3,6,13H,4-5H2,1H3
InChIKeyFVHLYIDLALRSIA-UHFFFAOYSA-N
XLogP1.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 75509763
2-amino-4-bromo-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 43258905
4-bromo-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide
CID 116527769
4-bromo-N-[3-(dimethylamino)propyl]-N-ethyl-2-fluorobenzenesulfonamide
CID 102995921
5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 15590963
4-bromo-N-cyclobutyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102675823
2-[(4-bromo-2-fluorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 116528263
4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide
CID 114386523
2-bromo-N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide
CID 60962319
4-bromo-2-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 116528243
2-[(4-bromo-2-fluorophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide
CID 116528817
4-bromo-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 103833706

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide (CID 116527699) is 4-bromo-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide is CN(CCO)S(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The InChIKey is FVHLYIDLALRSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO3S/c1-12(4-5-13)16(14,15)9-3-2-7(10)6-8(9)11/h2-3,6,13H,4-5H2,1H3.
What are the key properties of 4-bromo-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
4-bromo-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide has a molecular weight of 312.16 g/mol, XLogP of 1.20, 4 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-(2-hydroxyethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 116527699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).