N-(1-bromopropan-2-yl)-2-chloro-5-fluorobenzenesulfonamide

C9H10BrClFNO2S — CID 105400691

IUPACN-(1-bromopropan-2-yl)-2-chloro-5-fluorobenzenesulfonamide
SMILESCC(CBr)NS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C9H10BrClFNO2S/c1-6(5-10)13-16(14,15)9-4-7(12)2-3-8(9)11/h2-4,6,13H,5H2,1H3
InChIKeyAIPJYRUAWFRGAK-UHFFFAOYSA-N
MW330.61 g/mol
LogP2.54
Rot. Bonds4

About N-(1-bromopropan-2-yl)-2-chloro-5-fluorobenzenesulfonamide

N-(1-bromopropan-2-yl)-2-chloro-5-fluorobenzenesulfonamide (PubChem CID 105400691) has the molecular formula C9H10BrClFNO2S and a molecular weight of 330.61 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-2-chloro-5-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-2-chloro-5-fluorobenzenesulfonamide
PubChem CID105400691
Molecular FormulaC9H10BrClFNO2S
Molecular Weight330.61 g/mol
Exact Mass328.93
IUPAC NameN-(1-bromopropan-2-yl)-2-chloro-5-fluorobenzenesulfonamide
SMILESCC(CBr)NS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C9H10BrClFNO2S/c1-6(5-10)13-16(14,15)9-4-7(12)2-3-8(9)11/h2-4,6,13H,5H2,1H3
InChIKeyAIPJYRUAWFRGAK-UHFFFAOYSA-N
XLogP2.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.61
LogP ≤ 52.54
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-(4-bromo-3-methylbutan-2-yl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400734
N-(1-bromopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 114294312
2-chloro-5-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide
CID 113381999
(2R)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]propanoic acid
CID 103862701
2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 114517798
2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 105399638
(2S,3S)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 103862725
(3R)-3-[(2-chloro-5-fluorophenyl)sulfonylamino]-4,4-dimethylpentanoic acid
CID 166259120
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
2-[(2-chloro-5-fluorophenyl)sulfonylamino]pentanoic acid
CID 104739176

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-2-chloro-5-fluorobenzenesulfonamide?
The IUPAC name of N-(1-bromopropan-2-yl)-2-chloro-5-fluorobenzenesulfonamide (CID 105400691) is N-(1-bromopropan-2-yl)-2-chloro-5-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-2-chloro-5-fluorobenzenesulfonamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-2-chloro-5-fluorobenzenesulfonamide is CC(CBr)NS(=O)(=O)c1cc(F)ccc1Cl.
What is the InChIKey of N-(1-bromopropan-2-yl)-2-chloro-5-fluorobenzenesulfonamide?
The InChIKey is AIPJYRUAWFRGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClFNO2S/c1-6(5-10)13-16(14,15)9-4-7(12)2-3-8(9)11/h2-4,6,13H,5H2,1H3.
What are the key properties of N-(1-bromopropan-2-yl)-2-chloro-5-fluorobenzenesulfonamide?
N-(1-bromopropan-2-yl)-2-chloro-5-fluorobenzenesulfonamide has a molecular weight of 330.61 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-2-chloro-5-fluorobenzenesulfonamide is sourced from PubChem (CID 105400691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).