N-(2-amino-2-methylpropyl)-4-bromo-3-fluorobenzenesulfonamide

C10H14BrFN2O2S — CID 103829047

IUPACN-(2-amino-2-methylpropyl)-4-bromo-3-fluorobenzenesulfonamide
SMILESCC(C)(N)CNS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H14BrFN2O2S/c1-10(2,13)6-14-17(15,16)7-3-4-8(11)9(12)5-7/h3-5,14H,6,13H2,1-2H3
InChIKeyTXZZMFNNIJRNEP-UHFFFAOYSA-N
MW325.20 g/mol
LogP1.60
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-4-bromo-3-fluorobenzenesulfonamide

N-(2-amino-2-methylpropyl)-4-bromo-3-fluorobenzenesulfonamide (PubChem CID 103829047) has the molecular formula C10H14BrFN2O2S and a molecular weight of 325.20 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-bromo-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-bromo-3-fluorobenzenesulfonamide
PubChem CID103829047
Molecular FormulaC10H14BrFN2O2S
Molecular Weight325.20 g/mol
Exact Mass323.99
IUPAC NameN-(2-amino-2-methylpropyl)-4-bromo-3-fluorobenzenesulfonamide
SMILESCC(C)(N)CNS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H14BrFN2O2S/c1-10(2,13)6-14-17(15,16)7-3-4-8(11)9(12)5-7/h3-5,14H,6,13H2,1-2H3
InChIKeyTXZZMFNNIJRNEP-UHFFFAOYSA-N
XLogP1.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-4-bromo-3-methylbenzenesulfonamide
CID 115303618
4-bromo-3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzenesulfonamide
CID 103697603
4-bromo-N-(2,2-dimethylheptyl)-3-fluorobenzenesulfonamide
CID 107650334
ethyl 2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetate
CID 113242602
2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-tert-butylacetamide
CID 103697245
4-bromo-3-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973263
4-bromo-N-(2-ethylsulfonylethyl)-3-fluorobenzenesulfonamide
CID 113242592
N-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
CID 119988167
N-[4-[(2-amino-2-methylpropyl)sulfamoyl]-2-bromophenyl]acetamide
CID 120711584
1-N-(2-amino-2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
CID 119988277
4-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106341837
N-(2-amino-2-methylpropyl)-4-chlorobenzenesulfonamide;hydrochloride
CID 119988011

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-bromo-3-fluorobenzenesulfonamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-bromo-3-fluorobenzenesulfonamide (CID 103829047) is N-(2-amino-2-methylpropyl)-4-bromo-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-bromo-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-bromo-3-fluorobenzenesulfonamide is CC(C)(N)CNS(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-bromo-3-fluorobenzenesulfonamide?
The InChIKey is TXZZMFNNIJRNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2O2S/c1-10(2,13)6-14-17(15,16)7-3-4-8(11)9(12)5-7/h3-5,14H,6,13H2,1-2H3.
What are the key properties of N-(2-amino-2-methylpropyl)-4-bromo-3-fluorobenzenesulfonamide?
N-(2-amino-2-methylpropyl)-4-bromo-3-fluorobenzenesulfonamide has a molecular weight of 325.20 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-bromo-3-fluorobenzenesulfonamide is sourced from PubChem (CID 103829047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).