N-(5-bromopentyl)butane-1-sulfonamide

C9H20BrNO2S — CID 107323070

IUPACN-(5-bromopentyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCCCCBr
InChIInChI=1S/C9H20BrNO2S/c1-2-3-9-14(12,13)11-8-6-4-5-7-10/h11H,2-9H2,1H3
InChIKeyJNOUMOGHRNJJJR-UHFFFAOYSA-N
MW286.24 g/mol
LogP2.27
Rot. Bonds9

About N-(5-bromopentyl)butane-1-sulfonamide

N-(5-bromopentyl)butane-1-sulfonamide (PubChem CID 107323070) has the molecular formula C9H20BrNO2S and a molecular weight of 286.24 g/mol. Its IUPAC name is N-(5-bromopentyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-bromopentyl)butane-1-sulfonamide
PubChem CID107323070
Molecular FormulaC9H20BrNO2S
Molecular Weight286.24 g/mol
Exact Mass285.04
IUPAC NameN-(5-bromopentyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCCCCBr
InChIInChI=1S/C9H20BrNO2S/c1-2-3-9-14(12,13)11-8-6-4-5-7-10/h11H,2-9H2,1H3
InChIKeyJNOUMOGHRNJJJR-UHFFFAOYSA-N
XLogP2.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-decylbutane-1-sulfonamide
CID 19681427
N-octadecylpropane-1-sulfonamide
CID 88827291
N-(6-iodohexyl)butane-1-sulfonamide
CID 107848989
N-(6-bromohexyl)-3-methoxypropane-1-sulfonamide
CID 107848783
N-(5-bromopentyl)-2-methoxyethanesulfonamide
CID 107323052
7-(butylsulfonylamino)heptanoic acid
CID 24704780
N-(5-bromopentyl)-1-methylsulfonylmethanesulfonamide
CID 107323115
6-chloro-N-pentylhexane-1-sulfonamide
CID 57134163
4-bromo-N-ethylbutane-1-sulfonamide
CID 154346941
N,N'-dihexadecylmethanedisulfonamide
CID 140586841
N-(5-bromopentyl)-2,2-dimethylpropane-1-sulfonamide
CID 107322937
N-(10-cyanodecyl)decane-1-sulfonamide
CID 152541431

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)butane-1-sulfonamide?
The IUPAC name of N-(5-bromopentyl)butane-1-sulfonamide (CID 107323070) is N-(5-bromopentyl)butane-1-sulfonamide.
What is the SMILES notation for N-(5-bromopentyl)butane-1-sulfonamide?
The canonical SMILES for N-(5-bromopentyl)butane-1-sulfonamide is CCCCS(=O)(=O)NCCCCCBr.
What is the InChIKey of N-(5-bromopentyl)butane-1-sulfonamide?
The InChIKey is JNOUMOGHRNJJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20BrNO2S/c1-2-3-9-14(12,13)11-8-6-4-5-7-10/h11H,2-9H2,1H3.
What are the key properties of N-(5-bromopentyl)butane-1-sulfonamide?
N-(5-bromopentyl)butane-1-sulfonamide has a molecular weight of 286.24 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)butane-1-sulfonamide is sourced from PubChem (CID 107323070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).