4-bromo-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide

C9H11BrFNO3S — CID 103833706

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

About 4-bromo-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide

4-bromo-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide (PubChem CID 103833706) has the molecular formula C9H11BrFNO3S and a molecular weight of 312.16 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
PubChem CID103833706
Molecular FormulaC9H11BrFNO3S
Molecular Weight312.16 g/mol
Exact Mass310.96
IUPAC Name4-bromo-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
SMILESCN(CCO)S(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C9H11BrFNO3S/c1-12(4-5-13)16(14,15)7-2-3-8(10)9(11)6-7/h2-3,6,13H,4-5H2,1H3
InChIKeyIITOPUQRLZMRGT-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

N-(3-aminopropyl)-4-bromo-3-fluoro-N-methylbenzenesulfonamide
CID 103829034
4-bromo-N-butyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 103833721
4-bromo-3-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 103697508
4-bromo-3-fluoro-N-[(4-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 103834156
4-bromo-3-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 103834154
4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-methylbenzenesulfonamide
CID 103697406
4-bromo-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzenesulfonamide
CID 103697185
4-bromo-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102675801
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzenesulfonamide
CID 103697383
4-bromo-3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
CID 103880498
4-bromo-N-butyl-3-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 103697346
2-[(4-bromo-3-fluorophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide
CID 107650373

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide (CID 103833706) is 4-bromo-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide is CN(CCO)S(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The InChIKey is IITOPUQRLZMRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO3S/c1-12(4-5-13)16(14,15)7-2-3-8(10)9(11)6-7/h2-3,6,13H,4-5H2,1H3.
What are the key properties of 4-bromo-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
4-bromo-3-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-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 103833706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).