N-(1-chlorobutan-2-yl)sulfamoyl bromide

C4H9BrClNO2S — CID 88839824

IUPACN-(1-chlorobutan-2-yl)sulfamoyl bromide
SMILESCCC(CCl)NS(=O)(=O)Br
InChIInChI=1S/C4H9BrClNO2S/c1-2-4(3-6)7-10(5,8)9/h4,7H,2-3H2,1H3
InChIKeyAOCRXYWKRIFRFG-UHFFFAOYSA-N
MW250.54 g/mol
LogP1.23
Rot. Bonds4

About N-(1-chlorobutan-2-yl)sulfamoyl bromide

N-(1-chlorobutan-2-yl)sulfamoyl bromide (PubChem CID 88839824) has the molecular formula C4H9BrClNO2S and a molecular weight of 250.54 g/mol. Its IUPAC name is N-(1-chlorobutan-2-yl)sulfamoyl bromide.

Molecular Properties

Compound NameN-(1-chlorobutan-2-yl)sulfamoyl bromide
PubChem CID88839824
Molecular FormulaC4H9BrClNO2S
Molecular Weight250.54 g/mol
Exact Mass248.92
IUPAC NameN-(1-chlorobutan-2-yl)sulfamoyl bromide
SMILESCCC(CCl)NS(=O)(=O)Br
InChIInChI=1S/C4H9BrClNO2S/c1-2-4(3-6)7-10(5,8)9/h4,7H,2-3H2,1H3
InChIKeyAOCRXYWKRIFRFG-UHFFFAOYSA-N
XLogP1.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.54
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-chlorobutan-2-yl)sulfamoyl bromide?
The IUPAC name of N-(1-chlorobutan-2-yl)sulfamoyl bromide (CID 88839824) is N-(1-chlorobutan-2-yl)sulfamoyl bromide.
What is the SMILES notation for N-(1-chlorobutan-2-yl)sulfamoyl bromide?
The canonical SMILES for N-(1-chlorobutan-2-yl)sulfamoyl bromide is CCC(CCl)NS(=O)(=O)Br.
What is the InChIKey of N-(1-chlorobutan-2-yl)sulfamoyl bromide?
The InChIKey is AOCRXYWKRIFRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9BrClNO2S/c1-2-4(3-6)7-10(5,8)9/h4,7H,2-3H2,1H3.
What are the key properties of N-(1-chlorobutan-2-yl)sulfamoyl bromide?
N-(1-chlorobutan-2-yl)sulfamoyl bromide has a molecular weight of 250.54 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chlorobutan-2-yl)sulfamoyl bromide is sourced from PubChem (CID 88839824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).