N-(1-bromobutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide

C10H11BrCl2FNO2S — CID 103089775

IUPACN-(1-bromobutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide
SMILESCCC(CBr)NS(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C10H11BrCl2FNO2S/c1-2-6(5-11)15-18(16,17)8-4-3-7(12)10(14)9(8)13/h3-4,6,15H,2,5H2,1H3
InChIKeyZXNJCBLZEQTZFQ-UHFFFAOYSA-N
MW379.08 g/mol
LogP3.58
Rot. Bonds5

About N-(1-bromobutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide

N-(1-bromobutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide (PubChem CID 103089775) has the molecular formula C10H11BrCl2FNO2S and a molecular weight of 379.08 g/mol. Its IUPAC name is N-(1-bromobutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-bromobutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide
PubChem CID103089775
Molecular FormulaC10H11BrCl2FNO2S
Molecular Weight379.08 g/mol
Exact Mass376.91
IUPAC NameN-(1-bromobutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide
SMILESCCC(CBr)NS(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C10H11BrCl2FNO2S/c1-2-6(5-11)15-18(16,17)8-4-3-7(12)10(14)9(8)13/h3-4,6,15H,2,5H2,1H3
InChIKeyZXNJCBLZEQTZFQ-UHFFFAOYSA-N
XLogP3.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.08
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-N'-hydroxypentanimidamide
CID 103089471
N-(1-amino-4-methylpentan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089008
N-[(2R)-1-aminopropan-2-yl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
CID 120712872
N-(1-amino-3-methylbutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089053
N-(2-bromopentyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089842
2,6-dichloro-3-(pentan-3-ylsulfamoyl)benzoic acid
CID 29030781
N-(1-bromobutan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 114298374
2,4-dichloro-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 103270127
(2S)-2-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 103087572
N-(2-bromo-4,4-dimethylpentyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 107158110
(2S)-4-amino-2-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 103087667
2-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]pent-4-ynoic acid
CID 103087832

Frequently Asked Questions

What is the IUPAC name of N-(1-bromobutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide?
The IUPAC name of N-(1-bromobutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide (CID 103089775) is N-(1-bromobutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1-bromobutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(1-bromobutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide is CCC(CBr)NS(=O)(=O)c1ccc(Cl)c(F)c1Cl.
What is the InChIKey of N-(1-bromobutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide?
The InChIKey is ZXNJCBLZEQTZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrCl2FNO2S/c1-2-6(5-11)15-18(16,17)8-4-3-7(12)10(14)9(8)13/h3-4,6,15H,2,5H2,1H3.
What are the key properties of N-(1-bromobutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide?
N-(1-bromobutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide has a molecular weight of 379.08 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromobutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide is sourced from PubChem (CID 103089775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).