5-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide

C11H15BrFNO3S — CID 118470523

IUPAC5-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
SMILESCc1cc(F)c(S(=O)(=O)NCC(C)(C)O)cc1Br
InChIInChI=1S/C11H15BrFNO3S/c1-7-4-9(13)10(5-8(7)12)18(16,17)14-6-11(2,3)15/h4-5,14-15H,6H2,1-3H3
InChIKeyRNXYNRDLILIUOO-UHFFFAOYSA-N
MW340.21 g/mol
LogP1.95
Rot. Bonds4

About 5-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide

5-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide (PubChem CID 118470523) has the molecular formula C11H15BrFNO3S and a molecular weight of 340.21 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
PubChem CID118470523
Molecular FormulaC11H15BrFNO3S
Molecular Weight340.21 g/mol
Exact Mass338.99
IUPAC Name5-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
SMILESCc1cc(F)c(S(=O)(=O)NCC(C)(C)O)cc1Br
InChIInChI=1S/C11H15BrFNO3S/c1-7-4-9(13)10(5-8(7)12)18(16,17)14-6-11(2,3)15/h4-5,14-15H,6H2,1-3H3
InChIKeyRNXYNRDLILIUOO-UHFFFAOYSA-N
XLogP1.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-Butyl 3-bromo-4-methylbenzenesulfonamide
CID 7213297
N-(2-aminoethyl)-3-bromo-4-methylbenzenesulfonamide
CID 86780580
N-(3-aminopropyl)-3-bromo-4-methylbenzenesulfonamide
CID 86780588
5-Bromo-2-fluoro-4-methylbenzenesulfonamide
CID 40427490
5-bromo-2-fluoro-N-(2-hydroxy-2-methylpropoxy)-4-methylbenzenesulfonamide
CID 118469781
5-bromo-4-fluoro-N-(2-hydroxy-2-methylpropyl)-2-methylbenzenesulfonamide
CID 118469852
5-bromo-2-fluoro-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide
CID 118470287
3-bromo-4-methyl-N-(4,4,4-trifluoro-3-hydroxybutyl)benzenesulfonamide
CID 118470734
3-bromo-5-fluoro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
CID 132260761
4-bromo-2-fluoro-N-(2-hydroxyethyl)-5-methylbenzenesulfonamide
CID 137499812
4-bromo-2-fluoro-N-(2-hydroxyethyl)-5-methylbenzenesulfinamide
CID 137511022
3-bromo-N-tert-butyl-5-fluoro-4-methylbenzenesulfonamide
CID 142614077

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide (CID 118470523) is 5-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide is Cc1cc(F)c(S(=O)(=O)NCC(C)(C)O)cc1Br.
What is the InChIKey of 5-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide?
The InChIKey is RNXYNRDLILIUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO3S/c1-7-4-9(13)10(5-8(7)12)18(16,17)14-6-11(2,3)15/h4-5,14-15H,6H2,1-3H3.
What are the key properties of 5-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide?
5-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide has a molecular weight of 340.21 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 118470523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).