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

C10H13BrFNO2S — CID 114298088

IUPACN-(3-bromo-2-methylpropyl)-4-fluorobenzenesulfonamide
SMILESCC(CBr)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H13BrFNO2S/c1-8(6-11)7-13-16(14,15)10-4-2-9(12)3-5-10/h2-5,8,13H,6-7H2,1H3
InChIKeyIUMOREWKJBTGEP-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.13
Rot. Bonds5

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

N-(3-bromo-2-methylpropyl)-4-fluorobenzenesulfonamide (PubChem CID 114298088) has the molecular formula C10H13BrFNO2S and a molecular weight of 310.19 g/mol. Its IUPAC name is N-(3-bromo-2-methylpropyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylpropyl)-4-fluorobenzenesulfonamide
PubChem CID114298088
Molecular FormulaC10H13BrFNO2S
Molecular Weight310.19 g/mol
Exact Mass308.98
IUPAC NameN-(3-bromo-2-methylpropyl)-4-fluorobenzenesulfonamide
SMILESCC(CBr)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H13BrFNO2S/c1-8(6-11)7-13-16(14,15)10-4-2-9(12)3-5-10/h2-5,8,13H,6-7H2,1H3
InChIKeyIUMOREWKJBTGEP-UHFFFAOYSA-N
XLogP2.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-2-methylpropyl)-4-fluorobenzenesulfonamide
CID 65036723
N-(3-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
CID 120582028
N-(4-chloro-2-methylbutyl)-4-fluorobenzenesulfonamide
CID 66092046
4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43394414
4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512475
N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 120664997
4-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 60530804
N-(3-bromo-2-methylpropyl)-3,5-dichlorobenzenesulfonamide
CID 114298130
N-(3-bromo-2-methylpropyl)-1H-pyrazole-4-sulfonamide
CID 114298119
N-(2-bromo-4,4-dimethylpentyl)-4-fluorobenzenesulfonamide
CID 107158082
4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62640402
N-(1-bromo-4-methylpentan-2-yl)-4-fluorobenzenesulfonamide
CID 114297205

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylpropyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(3-bromo-2-methylpropyl)-4-fluorobenzenesulfonamide (CID 114298088) is N-(3-bromo-2-methylpropyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-bromo-2-methylpropyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-bromo-2-methylpropyl)-4-fluorobenzenesulfonamide is CC(CBr)CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(3-bromo-2-methylpropyl)-4-fluorobenzenesulfonamide?
The InChIKey is IUMOREWKJBTGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO2S/c1-8(6-11)7-13-16(14,15)10-4-2-9(12)3-5-10/h2-5,8,13H,6-7H2,1H3.
What are the key properties of N-(3-bromo-2-methylpropyl)-4-fluorobenzenesulfonamide?
N-(3-bromo-2-methylpropyl)-4-fluorobenzenesulfonamide has a molecular weight of 310.19 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylpropyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 114298088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).