5-methylhexane-2-sulfonyl chloride

C7H15ClO2S — CID 62084209

IUPAC5-methylhexane-2-sulfonyl chloride
SMILESCC(C)CCC(C)S(=O)(=O)Cl
InChIInChI=1S/C7H15ClO2S/c1-6(2)4-5-7(3)11(8,9)10/h6-7H,4-5H2,1-3H3
InChIKeyVZYKPQRSKUVHQX-UHFFFAOYSA-N
MW198.72 g/mol
LogP2.38
Rot. Bonds4

About 5-methylhexane-2-sulfonyl chloride

5-methylhexane-2-sulfonyl chloride (PubChem CID 62084209) has the molecular formula C7H15ClO2S and a molecular weight of 198.72 g/mol. Its IUPAC name is 5-methylhexane-2-sulfonyl chloride.

Molecular Properties

Compound Name5-methylhexane-2-sulfonyl chloride
PubChem CID62084209
Molecular FormulaC7H15ClO2S
Molecular Weight198.72 g/mol
Exact Mass198.05
IUPAC Name5-methylhexane-2-sulfonyl chloride
SMILESCC(C)CCC(C)S(=O)(=O)Cl
InChIInChI=1S/C7H15ClO2S/c1-6(2)4-5-7(3)11(8,9)10/h6-7H,4-5H2,1-3H3
InChIKeyVZYKPQRSKUVHQX-UHFFFAOYSA-N
XLogP2.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.72
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Propanesulfonyl chloride, 2-methyl-
CID 182236
1-Hexanesulfonyl chloride
CID 84504
3-Methylbutane-1-sulfonyl chloride
CID 12933327
Cyclopentylmethanesulfonyl Chloride
CID 2735404
4-Methylpentane-1-sulfonyl chloride
CID 20532481
2-Methylbutane-1-sulfonyl chloride
CID 20532502
3-Methylbutane-2-sulfonyl chloride
CID 21354490
2,3-Dimethylbutane-1-sulfonyl chloride
CID 24975118
2-Methylcyclopentane-1-sulfonyl chloride
CID 53649750
4-Methylpentane-2-sulfonyl chloride
CID 54347504
2-Methylpentane-1-sulfonyl fluoride
CID 54593061
2-Ethylcyclopropane-1-sulfonyl chloride
CID 55212029

Frequently Asked Questions

What is the IUPAC name of 5-methylhexane-2-sulfonyl chloride?
The IUPAC name of 5-methylhexane-2-sulfonyl chloride (CID 62084209) is 5-methylhexane-2-sulfonyl chloride.
What is the SMILES notation for 5-methylhexane-2-sulfonyl chloride?
The canonical SMILES for 5-methylhexane-2-sulfonyl chloride is CC(C)CCC(C)S(=O)(=O)Cl.
What is the InChIKey of 5-methylhexane-2-sulfonyl chloride?
The InChIKey is VZYKPQRSKUVHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClO2S/c1-6(2)4-5-7(3)11(8,9)10/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-methylhexane-2-sulfonyl chloride?
5-methylhexane-2-sulfonyl chloride has a molecular weight of 198.72 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylhexane-2-sulfonyl chloride is sourced from PubChem (CID 62084209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).