2-ethylbutane-1-sulfonyl chloride

C6H13ClO2S — CID 53417037

IUPAC2-ethylbutane-1-sulfonyl chloride
SMILESCCC(CC)CS(=O)(=O)Cl
InChIInChI=1S/C6H13ClO2S/c1-3-6(4-2)5-10(7,8)9/h6H,3-5H2,1-2H3
InChIKeyYECMZAFVLJVACL-UHFFFAOYSA-N
MW184.69 g/mol
LogP1.99
Rot. Bonds4

About 2-ethylbutane-1-sulfonyl chloride

2-ethylbutane-1-sulfonyl chloride (PubChem CID 53417037) has the molecular formula C6H13ClO2S and a molecular weight of 184.69 g/mol. Its IUPAC name is 2-ethylbutane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-ethylbutane-1-sulfonyl chloride
PubChem CID53417037
Molecular FormulaC6H13ClO2S
Molecular Weight184.69 g/mol
Exact Mass184.03
IUPAC Name2-ethylbutane-1-sulfonyl chloride
SMILESCCC(CC)CS(=O)(=O)Cl
InChIInChI=1S/C6H13ClO2S/c1-3-6(4-2)5-10(7,8)9/h6H,3-5H2,1-2H3
InChIKeyYECMZAFVLJVACL-UHFFFAOYSA-N
XLogP1.99
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.69
LogP ≤ 51.99
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
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-Ethylcyclopropane-1-sulfonyl chloride
CID 55212029
2-Cyclopropylethane-1-sulfonyl chloride
CID 55279594

Frequently Asked Questions

What is the IUPAC name of 2-ethylbutane-1-sulfonyl chloride?
The IUPAC name of 2-ethylbutane-1-sulfonyl chloride (CID 53417037) is 2-ethylbutane-1-sulfonyl chloride.
What is the SMILES notation for 2-ethylbutane-1-sulfonyl chloride?
The canonical SMILES for 2-ethylbutane-1-sulfonyl chloride is CCC(CC)CS(=O)(=O)Cl.
What is the InChIKey of 2-ethylbutane-1-sulfonyl chloride?
The InChIKey is YECMZAFVLJVACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClO2S/c1-3-6(4-2)5-10(7,8)9/h6H,3-5H2,1-2H3.
What are the key properties of 2-ethylbutane-1-sulfonyl chloride?
2-ethylbutane-1-sulfonyl chloride has a molecular weight of 184.69 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbutane-1-sulfonyl chloride is sourced from PubChem (CID 53417037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).