4-bromo-3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzenesulfonamide

C11H16BrFN2O4S2 — CID 103697603

IUPAC4-bromo-3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzenesulfonamide
SMILESCC(C)(CNS(=O)(=O)c1ccc(Br)c(F)c1)NS(C)(=O)=O
InChIInChI=1S/C11H16BrFN2O4S2/c1-11(2,15-20(3,16)17)7-14-21(18,19)8-4-5-9(12)10(13)6-8/h4-6,14-15H,7H2,1-3H3
InChIKeyMDJRGYRAUKMLBE-UHFFFAOYSA-N
MW403.30 g/mol
LogP1.19
Rot. Bonds6

About 4-bromo-3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzenesulfonamide

4-bromo-3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzenesulfonamide (PubChem CID 103697603) has the molecular formula C11H16BrFN2O4S2 and a molecular weight of 403.30 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzenesulfonamide
PubChem CID103697603
Molecular FormulaC11H16BrFN2O4S2
Molecular Weight403.30 g/mol
Exact Mass401.97
IUPAC Name4-bromo-3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzenesulfonamide
SMILESCC(C)(CNS(=O)(=O)c1ccc(Br)c(F)c1)NS(C)(=O)=O
InChIInChI=1S/C11H16BrFN2O4S2/c1-11(2,15-20(3,16)17)7-14-21(18,19)8-4-5-9(12)10(13)6-8/h4-6,14-15H,7H2,1-3H3
InChIKeyMDJRGYRAUKMLBE-UHFFFAOYSA-N
XLogP1.19
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-4-bromo-3-fluorobenzenesulfonamide
CID 103829047
4-bromo-N-(2,2-dimethylheptyl)-3-fluorobenzenesulfonamide
CID 107650334
2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-tert-butylacetamide
CID 103697245
4-bromo-N-(2-ethylsulfonylethyl)-3-fluorobenzenesulfonamide
CID 113242592
4-bromo-3-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973263
N-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-3-sulfonamide
CID 63862617
6-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-sulfonamide
CID 63864494
ethyl 2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetate
CID 113242602
4-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106341837
4-bromo-N-[(1-ethylcyclopropyl)methyl]-3-fluorobenzenesulfonamide
CID 103737613
4-bromo-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 113431383
N-(2-amino-2-methylpropyl)-4-bromo-3-methylbenzenesulfonamide
CID 115303618

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzenesulfonamide?
The IUPAC name of 4-bromo-3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzenesulfonamide (CID 103697603) is 4-bromo-3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzenesulfonamide is CC(C)(CNS(=O)(=O)c1ccc(Br)c(F)c1)NS(C)(=O)=O.
What is the InChIKey of 4-bromo-3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzenesulfonamide?
The InChIKey is MDJRGYRAUKMLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrFN2O4S2/c1-11(2,15-20(3,16)17)7-14-21(18,19)8-4-5-9(12)10(13)6-8/h4-6,14-15H,7H2,1-3H3.
What are the key properties of 4-bromo-3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzenesulfonamide?
4-bromo-3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzenesulfonamide has a molecular weight of 403.30 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzenesulfonamide is sourced from PubChem (CID 103697603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).