N-[1-bromo-2-(bromomethyl)butan-2-yl]cyclopropanesulfonamide

C8H15Br2NO2S — CID 107868291

IUPACN-[1-bromo-2-(bromomethyl)butan-2-yl]cyclopropanesulfonamide
SMILESCCC(CBr)(CBr)NS(=O)(=O)C1CC1
InChIInChI=1S/C8H15Br2NO2S/c1-2-8(5-9,6-10)11-14(12,13)7-3-4-7/h7,11H,2-6H2,1H3
InChIKeyQDLLPVXVBAPNGY-UHFFFAOYSA-N
MW349.09 g/mol
LogP2.01
Rot. Bonds6

About N-[1-bromo-2-(bromomethyl)butan-2-yl]cyclopropanesulfonamide

N-[1-bromo-2-(bromomethyl)butan-2-yl]cyclopropanesulfonamide (PubChem CID 107868291) has the molecular formula C8H15Br2NO2S and a molecular weight of 349.09 g/mol. Its IUPAC name is N-[1-bromo-2-(bromomethyl)butan-2-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-bromo-2-(bromomethyl)butan-2-yl]cyclopropanesulfonamide
PubChem CID107868291
Molecular FormulaC8H15Br2NO2S
Molecular Weight349.09 g/mol
Exact Mass346.92
IUPAC NameN-[1-bromo-2-(bromomethyl)butan-2-yl]cyclopropanesulfonamide
SMILESCCC(CBr)(CBr)NS(=O)(=O)C1CC1
InChIInChI=1S/C8H15Br2NO2S/c1-2-8(5-9,6-10)11-14(12,13)7-3-4-7/h7,11H,2-6H2,1H3
InChIKeyQDLLPVXVBAPNGY-UHFFFAOYSA-N
XLogP2.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.09
LogP ≤ 52.01
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-(hydroxymethyl)pentan-3-yl]oxane-4-sulfonamide
CID 62521427
1-bromo-2-(bromomethyl)-2-(dimethylsulfamoylamino)butane
CID 107868283
N-(1-hydroxy-2-methylbutan-2-yl)cyclopentanesulfonamide
CID 105361290
N-(2-cyanobutan-2-yl)cyclohexanesulfonamide
CID 61122113
N-[3-(bromomethyl)pentan-3-yl]cyclopentanecarboxamide
CID 114315142
2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-ethylbutanethioamide
CID 62084057
N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1-sulfonamide
CID 165445594
N-tert-butyloxane-4-sulfonamide
CID 63239343
N-[1-bromo-2-(bromomethyl)butan-2-yl]-4-fluorobenzenesulfonamide
CID 114011015
N-(4-bromo-2,2-dimethylbutyl)cyclohexanesulfonamide
CID 106145688
2-(cyclopentylsulfonylamino)-2-methylbutanimidamide
CID 105361960
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2,4,6-trifluorobenzenesulfonamide
CID 107868321

Frequently Asked Questions

What is the IUPAC name of N-[1-bromo-2-(bromomethyl)butan-2-yl]cyclopropanesulfonamide?
The IUPAC name of N-[1-bromo-2-(bromomethyl)butan-2-yl]cyclopropanesulfonamide (CID 107868291) is N-[1-bromo-2-(bromomethyl)butan-2-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[1-bromo-2-(bromomethyl)butan-2-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[1-bromo-2-(bromomethyl)butan-2-yl]cyclopropanesulfonamide is CCC(CBr)(CBr)NS(=O)(=O)C1CC1.
What is the InChIKey of N-[1-bromo-2-(bromomethyl)butan-2-yl]cyclopropanesulfonamide?
The InChIKey is QDLLPVXVBAPNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Br2NO2S/c1-2-8(5-9,6-10)11-14(12,13)7-3-4-7/h7,11H,2-6H2,1H3.
What are the key properties of N-[1-bromo-2-(bromomethyl)butan-2-yl]cyclopropanesulfonamide?
N-[1-bromo-2-(bromomethyl)butan-2-yl]cyclopropanesulfonamide has a molecular weight of 349.09 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-bromo-2-(bromomethyl)butan-2-yl]cyclopropanesulfonamide is sourced from PubChem (CID 107868291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).