N-(4-bromo-3-methylbutan-2-yl)-2-chloro-5-fluorobenzenesulfonamide

C11H14BrClFNO2S — CID 105400734

IUPACN-(4-bromo-3-methylbutan-2-yl)-2-chloro-5-fluorobenzenesulfonamide
SMILESCC(CBr)C(C)NS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C11H14BrClFNO2S/c1-7(6-12)8(2)15-18(16,17)11-5-9(14)3-4-10(11)13/h3-5,7-8,15H,6H2,1-2H3
InChIKeyFTFMTVJOKZDTPN-UHFFFAOYSA-N
MW358.66 g/mol
LogP3.18
Rot. Bonds5

About N-(4-bromo-3-methylbutan-2-yl)-2-chloro-5-fluorobenzenesulfonamide

N-(4-bromo-3-methylbutan-2-yl)-2-chloro-5-fluorobenzenesulfonamide (PubChem CID 105400734) has the molecular formula C11H14BrClFNO2S and a molecular weight of 358.66 g/mol. Its IUPAC name is N-(4-bromo-3-methylbutan-2-yl)-2-chloro-5-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylbutan-2-yl)-2-chloro-5-fluorobenzenesulfonamide
PubChem CID105400734
Molecular FormulaC11H14BrClFNO2S
Molecular Weight358.66 g/mol
Exact Mass356.96
IUPAC NameN-(4-bromo-3-methylbutan-2-yl)-2-chloro-5-fluorobenzenesulfonamide
SMILESCC(CBr)C(C)NS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C11H14BrClFNO2S/c1-7(6-12)8(2)15-18(16,17)11-5-9(14)3-4-10(11)13/h3-5,7-8,15H,6H2,1-2H3
InChIKeyFTFMTVJOKZDTPN-UHFFFAOYSA-N
XLogP3.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.66
LogP ≤ 53.18
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-(1-bromopropan-2-yl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400691
2-chloro-5-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide
CID 113381999
4-bromo-N-(4-bromo-3-methylbutan-2-yl)-2-chlorobenzenesulfonamide
CID 113485097
(2R)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]propanoic acid
CID 103862701
2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 105399638
(2S,3S)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 103862725
2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 114517798
(3R)-3-[(2-chloro-5-fluorophenyl)sulfonylamino]-4,4-dimethylpentanoic acid
CID 166259120
N-(1-bromopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 114294312
2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697607
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-chloro-5-fluorobenzenesulfonamide
CID 107868294
N-(2-amino-1-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
CID 86780735

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylbutan-2-yl)-2-chloro-5-fluorobenzenesulfonamide?
The IUPAC name of N-(4-bromo-3-methylbutan-2-yl)-2-chloro-5-fluorobenzenesulfonamide (CID 105400734) is N-(4-bromo-3-methylbutan-2-yl)-2-chloro-5-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-3-methylbutan-2-yl)-2-chloro-5-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-bromo-3-methylbutan-2-yl)-2-chloro-5-fluorobenzenesulfonamide is CC(CBr)C(C)NS(=O)(=O)c1cc(F)ccc1Cl.
What is the InChIKey of N-(4-bromo-3-methylbutan-2-yl)-2-chloro-5-fluorobenzenesulfonamide?
The InChIKey is FTFMTVJOKZDTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClFNO2S/c1-7(6-12)8(2)15-18(16,17)11-5-9(14)3-4-10(11)13/h3-5,7-8,15H,6H2,1-2H3.
What are the key properties of N-(4-bromo-3-methylbutan-2-yl)-2-chloro-5-fluorobenzenesulfonamide?
N-(4-bromo-3-methylbutan-2-yl)-2-chloro-5-fluorobenzenesulfonamide has a molecular weight of 358.66 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylbutan-2-yl)-2-chloro-5-fluorobenzenesulfonamide is sourced from PubChem (CID 105400734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).