N-(4-bromobutan-2-yl)cyclopropanesulfonamide

C7H14BrNO2S — CID 83180222

IUPACN-(4-bromobutan-2-yl)cyclopropanesulfonamide
SMILESCC(CCBr)NS(=O)(=O)C1CC1
InChIInChI=1S/C7H14BrNO2S/c1-6(4-5-8)9-12(10,11)7-2-3-7/h6-7,9H,2-5H2,1H3
InChIKeyIHKMKKQWWIYKSZ-UHFFFAOYSA-N
MW256.16 g/mol
LogP1.24
Rot. Bonds5

About N-(4-bromobutan-2-yl)cyclopropanesulfonamide

N-(4-bromobutan-2-yl)cyclopropanesulfonamide (PubChem CID 83180222) has the molecular formula C7H14BrNO2S and a molecular weight of 256.16 g/mol. Its IUPAC name is N-(4-bromobutan-2-yl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(4-bromobutan-2-yl)cyclopropanesulfonamide
PubChem CID83180222
Molecular FormulaC7H14BrNO2S
Molecular Weight256.16 g/mol
Exact Mass254.99
IUPAC NameN-(4-bromobutan-2-yl)cyclopropanesulfonamide
SMILESCC(CCBr)NS(=O)(=O)C1CC1
InChIInChI=1S/C7H14BrNO2S/c1-6(4-5-8)9-12(10,11)7-2-3-7/h6-7,9H,2-5H2,1H3
InChIKeyIHKMKKQWWIYKSZ-UHFFFAOYSA-N
XLogP1.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.16
LogP ≤ 51.24
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)cyclohexanesulfonamide
CID 114294295
N-(4-aminobutan-2-yl)oxane-4-sulfonamide
CID 62093127
N-(4-aminobutan-2-yl)cyclohexanesulfonamide
CID 62093489
N-(4-bromobutan-2-yl)-4-methylpiperidine-1-sulfonamide
CID 83178467
1-bromo-3-(dimethylsulfamoylamino)butane
CID 83178686
N-[(2R)-1-piperidin-1-ylpropan-2-yl]cyclopropanesulfonamide
CID 99827272
N-(4-chloropentan-2-yl)cyclopentanesulfonamide
CID 105361812
N-(1-bromobutan-2-yl)oxane-4-sulfonamide
CID 114298444
N-(1-chloro-4,4-dimethylpentan-3-yl)cyclopropanesulfonamide
CID 106356504
(2R)-2-(cyclopropylsulfonylamino)-4-methylpentanoic acid
CID 78996641
N-(1-bromobutan-2-yl)cyclohexanesulfonamide
CID 114298361
N-[(2S)-1-hydroxybutan-2-yl]cyclopropanesulfonamide
CID 104982018

Frequently Asked Questions

What is the IUPAC name of N-(4-bromobutan-2-yl)cyclopropanesulfonamide?
The IUPAC name of N-(4-bromobutan-2-yl)cyclopropanesulfonamide (CID 83180222) is N-(4-bromobutan-2-yl)cyclopropanesulfonamide.
What is the SMILES notation for N-(4-bromobutan-2-yl)cyclopropanesulfonamide?
The canonical SMILES for N-(4-bromobutan-2-yl)cyclopropanesulfonamide is CC(CCBr)NS(=O)(=O)C1CC1.
What is the InChIKey of N-(4-bromobutan-2-yl)cyclopropanesulfonamide?
The InChIKey is IHKMKKQWWIYKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO2S/c1-6(4-5-8)9-12(10,11)7-2-3-7/h6-7,9H,2-5H2,1H3.
What are the key properties of N-(4-bromobutan-2-yl)cyclopropanesulfonamide?
N-(4-bromobutan-2-yl)cyclopropanesulfonamide has a molecular weight of 256.16 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromobutan-2-yl)cyclopropanesulfonamide is sourced from PubChem (CID 83180222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).