heptane-1-sulfonyl bromide

C7H15BrO2S — CID 22935887

IUPACheptane-1-sulfonyl bromide
SMILESCCCCCCCS(=O)(=O)Br
InChIInChI=1S/C7H15BrO2S/c1-2-3-4-5-6-7-11(8,9)10/h2-7H2,1H3
InChIKeyJFBGHFXCXULONM-UHFFFAOYSA-N
MW243.17 g/mol
LogP2.68
Rot. Bonds6

About heptane-1-sulfonyl bromide

heptane-1-sulfonyl bromide (PubChem CID 22935887) has the molecular formula C7H15BrO2S and a molecular weight of 243.17 g/mol. Its IUPAC name is heptane-1-sulfonyl bromide.

Molecular Properties

Compound Nameheptane-1-sulfonyl bromide
PubChem CID22935887
Molecular FormulaC7H15BrO2S
Molecular Weight243.17 g/mol
Exact Mass242.00
IUPAC Nameheptane-1-sulfonyl bromide
SMILESCCCCCCCS(=O)(=O)Br
InChIInChI=1S/C7H15BrO2S/c1-2-3-4-5-6-7-11(8,9)10/h2-7H2,1H3
InChIKeyJFBGHFXCXULONM-UHFFFAOYSA-N
XLogP2.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.17
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-octylsulfonylnonane
CID 19089492
1-ethylsulfonylheptane
CID 19089519
1-(nonylsulfonylmethylsulfonyl)nonane
CID 139912693
1-methylsulfonylnonane
CID 19089493
1-(octylsulfonylmethylsulfonyl)octane
CID 3455822
pentacosane-1-sulfonamide
CID 149252389
CID 21277428
CID 21277428
bromo-octyl-dipropyl-λ4-sulfane
CID 141102624
heptane-1-sulfonyl chloride
CID 10878141
decane-1-sulfonic acid
CID 157391186
lithium hexane-1-sulfonate
CID 87141758
silver pentadecane-1-sulfonate
CID 102573896

Frequently Asked Questions

What is the IUPAC name of heptane-1-sulfonyl bromide?
The IUPAC name of heptane-1-sulfonyl bromide (CID 22935887) is heptane-1-sulfonyl bromide.
What is the SMILES notation for heptane-1-sulfonyl bromide?
The canonical SMILES for heptane-1-sulfonyl bromide is CCCCCCCS(=O)(=O)Br.
What is the InChIKey of heptane-1-sulfonyl bromide?
The InChIKey is JFBGHFXCXULONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BrO2S/c1-2-3-4-5-6-7-11(8,9)10/h2-7H2,1H3.
What are the key properties of heptane-1-sulfonyl bromide?
heptane-1-sulfonyl bromide has a molecular weight of 243.17 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptane-1-sulfonyl bromide is sourced from PubChem (CID 22935887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).