2,4-dimethylpentane-1-sulfonyl chloride

C7H15ClO2S — CID 83637643

IUPAC2,4-dimethylpentane-1-sulfonyl chloride
SMILESCC(C)CC(C)CS(=O)(=O)Cl
InChIInChI=1S/C7H15ClO2S/c1-6(2)4-7(3)5-11(8,9)10/h6-7H,4-5H2,1-3H3
InChIKeyBIZSAASKRJUBBN-UHFFFAOYSA-N
MW198.71 g/mol
LogP2.24
Rot. Bonds4

About 2,4-dimethylpentane-1-sulfonyl chloride

2,4-dimethylpentane-1-sulfonyl chloride (PubChem CID 83637643) has the molecular formula C7H15ClO2S and a molecular weight of 198.71 g/mol. Its IUPAC name is 2,4-dimethylpentane-1-sulfonyl chloride.

Molecular Properties

Compound Name2,4-dimethylpentane-1-sulfonyl chloride
PubChem CID83637643
Molecular FormulaC7H15ClO2S
Molecular Weight198.71 g/mol
Exact Mass198.05
IUPAC Name2,4-dimethylpentane-1-sulfonyl chloride
SMILESCC(C)CC(C)CS(=O)(=O)Cl
InChIInChI=1S/C7H15ClO2S/c1-6(2)4-7(3)5-11(8,9)10/h6-7H,4-5H2,1-3H3
InChIKeyBIZSAASKRJUBBN-UHFFFAOYSA-N
XLogP2.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.71
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Propanesulfonyl chloride, 2-methyl-
CID 182236
1-Pentanesulfonyl chloride
CID 237555
3-Methylbutane-1-sulfonyl chloride
CID 12933327
4-Methylpentane-2-sulfonamide
CID 54354651
Pentane-2-sulfonyl chloride
CID 2760314
Pentane-3-sulfonyl chloride
CID 20481917
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
4-Methylpentane-2-sulfonyl chloride
CID 54347504
2-Methylpentane-1-sulfonyl fluoride
CID 54593061

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentane-1-sulfonyl chloride?
The IUPAC name of 2,4-dimethylpentane-1-sulfonyl chloride (CID 83637643) is 2,4-dimethylpentane-1-sulfonyl chloride.
What is the SMILES notation for 2,4-dimethylpentane-1-sulfonyl chloride?
The canonical SMILES for 2,4-dimethylpentane-1-sulfonyl chloride is CC(C)CC(C)CS(=O)(=O)Cl.
What is the InChIKey of 2,4-dimethylpentane-1-sulfonyl chloride?
The InChIKey is BIZSAASKRJUBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClO2S/c1-6(2)4-7(3)5-11(8,9)10/h6-7H,4-5H2,1-3H3.
What are the key properties of 2,4-dimethylpentane-1-sulfonyl chloride?
2,4-dimethylpentane-1-sulfonyl chloride has a molecular weight of 198.71 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentane-1-sulfonyl chloride is sourced from PubChem (CID 83637643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).