heptane-1-sulfonyl chloride

C7H15ClO2S — CID 10878141

IUPACheptane-1-sulfonyl chloride
SMILESCCCCCCCS(=O)(=O)Cl
InChIInChI=1S/C7H15ClO2S/c1-2-3-4-5-6-7-11(8,9)10/h2-7H2,1H3
InChIKeyHXIUMEKDVYLMOK-UHFFFAOYSA-N
MW198.71 g/mol
LogP2.53
Rot. Bonds6

About heptane-1-sulfonyl chloride

heptane-1-sulfonyl chloride (PubChem CID 10878141) has the molecular formula C7H15ClO2S and a molecular weight of 198.71 g/mol. Its IUPAC name is heptane-1-sulfonyl chloride.

Molecular Properties

Compound Nameheptane-1-sulfonyl chloride
PubChem CID10878141
Molecular FormulaC7H15ClO2S
Molecular Weight198.71 g/mol
Exact Mass198.05
IUPAC Nameheptane-1-sulfonyl chloride
SMILESCCCCCCCS(=O)(=O)Cl
InChIInChI=1S/C7H15ClO2S/c1-2-3-4-5-6-7-11(8,9)10/h2-7H2,1H3
InChIKeyHXIUMEKDVYLMOK-UHFFFAOYSA-N
XLogP2.53
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.71
LogP ≤ 52.53
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

3-(dipentylamino)propane-1-sulfonyl chloride
CID 112594628
chloro-docosyl-diethyl-λ4-sulfane
CID 163231376
1-octylsulfonylnonane
CID 19089492
trichloro(octyl)-λ4-sulfane
CID 129156705
1-ethylsulfonylheptane
CID 19089519
1-(nonylsulfonylmethylsulfonyl)nonane
CID 139912693
1-(octylsulfonylmethylsulfonyl)octane
CID 3455822
1-methylsulfonylnonane
CID 19089493
3-ethylsulfonylpropane-1-sulfonyl chloride
CID 65094375
dichloro-hexyl-methyl-λ4-sulfane
CID 142899698
1-(chloromethylsulfonyl)octane
CID 4612846
decane-1-sulfonic acid
CID 157391186

Frequently Asked Questions

What is the IUPAC name of heptane-1-sulfonyl chloride?
The IUPAC name of heptane-1-sulfonyl chloride (CID 10878141) is heptane-1-sulfonyl chloride.
What is the SMILES notation for heptane-1-sulfonyl chloride?
The canonical SMILES for heptane-1-sulfonyl chloride is CCCCCCCS(=O)(=O)Cl.
What is the InChIKey of heptane-1-sulfonyl chloride?
The InChIKey is HXIUMEKDVYLMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClO2S/c1-2-3-4-5-6-7-11(8,9)10/h2-7H2,1H3.
What are the key properties of heptane-1-sulfonyl chloride?
heptane-1-sulfonyl chloride has a molecular weight of 198.71 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptane-1-sulfonyl chloride is sourced from PubChem (CID 10878141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).