4-thiophen-2-ylbutane-1-sulfonyl chloride

C8H11ClO2S2 — CID 98701224

IUPAC4-thiophen-2-ylbutane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCCc1cccs1
InChIInChI=1S/C8H11ClO2S2/c9-13(10,11)7-2-1-4-8-5-3-6-12-8/h3,5-6H,1-2,4,7H2
InChIKeyDYOKBQZDKHOZKB-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.64
Rot. Bonds5

About 4-thiophen-2-ylbutane-1-sulfonyl chloride

4-thiophen-2-ylbutane-1-sulfonyl chloride (PubChem CID 98701224) has the molecular formula C8H11ClO2S2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 4-thiophen-2-ylbutane-1-sulfonyl chloride.

Molecular Properties

Compound Name4-thiophen-2-ylbutane-1-sulfonyl chloride
PubChem CID98701224
Molecular FormulaC8H11ClO2S2
Molecular Weight238.76 g/mol
Exact Mass237.99
IUPAC Name4-thiophen-2-ylbutane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCCc1cccs1
InChIInChI=1S/C8H11ClO2S2/c9-13(10,11)7-2-1-4-8-5-3-6-12-8/h3,5-6H,1-2,4,7H2
InChIKeyDYOKBQZDKHOZKB-UHFFFAOYSA-N
XLogP2.64
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloropentyl)thiophene
CID 4912993
4-thiophen-2-ylbutyl methanesulfonate
CID 54434869
2-(4-fluorobutyl)thiophene
CID 67851736
10-thiophen-2-yldecan-1-ol
CID 22992199
ethane;2-pentylthiophene
CID 143883800
20-thiophen-2-ylicosane-1-thiol
CID 15444594
10-thiophen-2-yldecan-1-amine
CID 22115195
4-chloro-N,N-bis(thiophen-2-ylmethyl)butane-1-sulfonamide
CID 116815238
3-thiophen-2-ylpropan-1-ol
CID 13109866
4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)butane-1-sulfonamide
CID 79494758
methane;2-undecylthiophene
CID 175504380
6-thiophen-2-ylhexanamide
CID 137320292

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-ylbutane-1-sulfonyl chloride?
The IUPAC name of 4-thiophen-2-ylbutane-1-sulfonyl chloride (CID 98701224) is 4-thiophen-2-ylbutane-1-sulfonyl chloride.
What is the SMILES notation for 4-thiophen-2-ylbutane-1-sulfonyl chloride?
The canonical SMILES for 4-thiophen-2-ylbutane-1-sulfonyl chloride is O=S(=O)(Cl)CCCCc1cccs1.
What is the InChIKey of 4-thiophen-2-ylbutane-1-sulfonyl chloride?
The InChIKey is DYOKBQZDKHOZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClO2S2/c9-13(10,11)7-2-1-4-8-5-3-6-12-8/h3,5-6H,1-2,4,7H2.
What are the key properties of 4-thiophen-2-ylbutane-1-sulfonyl chloride?
4-thiophen-2-ylbutane-1-sulfonyl chloride has a molecular weight of 238.76 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-ylbutane-1-sulfonyl chloride is sourced from PubChem (CID 98701224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).