4-bromo-3-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide

C11H15BrFNO2S — CID 103697508

IUPAC4-bromo-3-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(C)S(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H15BrFNO2S/c1-8(2)7-14(3)17(15,16)9-4-5-10(12)11(13)6-9/h4-6,8H,7H2,1-3H3
InChIKeyJNFJYXYSXTVQEY-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.86
Rot. Bonds4

About 4-bromo-3-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide

4-bromo-3-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 103697508) has the molecular formula C11H15BrFNO2S and a molecular weight of 324.22 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
PubChem CID103697508
Molecular FormulaC11H15BrFNO2S
Molecular Weight324.22 g/mol
Exact Mass323.00
IUPAC Name4-bromo-3-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(C)S(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H15BrFNO2S/c1-8(2)7-14(3)17(15,16)9-4-5-10(12)11(13)6-9/h4-6,8H,7H2,1-3H3
InChIKeyJNFJYXYSXTVQEY-UHFFFAOYSA-N
XLogP2.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
CID 103880498
4-bromo-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 103833706
2-[(4-bromo-3-fluorophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide
CID 107650373
2-bromo-5-[methyl(2-methylpropyl)sulfamoyl]benzoic acid
CID 43271847
N-(3-aminopropyl)-4-bromo-3-fluoro-N-methylbenzenesulfonamide
CID 103829034
4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-fluorobenzenesulfonamide
CID 103270437
4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-methylbenzenesulfonamide
CID 103697406
4-bromo-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzenesulfonamide
CID 103697185
4-bromo-3-fluoro-N-[(4-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 103834156
3-amino-4-bromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 115329228
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzenesulfonamide
CID 103697383
4-bromo-N-(1-cyanopropan-2-yl)-3-fluoro-N-methylbenzenesulfonamide
CID 71997631

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-bromo-3-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide (CID 103697508) is 4-bromo-3-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-3-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide is CC(C)CN(C)S(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is JNFJYXYSXTVQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO2S/c1-8(2)7-14(3)17(15,16)9-4-5-10(12)11(13)6-9/h4-6,8H,7H2,1-3H3.
What are the key properties of 4-bromo-3-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide?
4-bromo-3-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 324.22 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 103697508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).