1-butylcyclopropane-1-sulfonyl chloride

C7H13ClO2S — CID 87574434

IUPAC1-butylcyclopropane-1-sulfonyl chloride
SMILESCCCCC1(S(=O)(=O)Cl)CC1
InChIInChI=1S/C7H13ClO2S/c1-2-3-4-7(5-6-7)11(8,9)10/h2-6H2,1H3
InChIKeyWEHHAWDPCCAAMN-UHFFFAOYSA-N
MW196.70 g/mol
LogP2.28
Rot. Bonds4

About 1-butylcyclopropane-1-sulfonyl chloride

1-butylcyclopropane-1-sulfonyl chloride (PubChem CID 87574434) has the molecular formula C7H13ClO2S and a molecular weight of 196.70 g/mol. Its IUPAC name is 1-butylcyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Name1-butylcyclopropane-1-sulfonyl chloride
PubChem CID87574434
Molecular FormulaC7H13ClO2S
Molecular Weight196.70 g/mol
Exact Mass196.03
IUPAC Name1-butylcyclopropane-1-sulfonyl chloride
SMILESCCCCC1(S(=O)(=O)Cl)CC1
InChIInChI=1S/C7H13ClO2S/c1-2-3-4-7(5-6-7)11(8,9)10/h2-6H2,1H3
InChIKeyWEHHAWDPCCAAMN-UHFFFAOYSA-N
XLogP2.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.70
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butylcyclopropane-1-sulfonyl chloride?
The IUPAC name of 1-butylcyclopropane-1-sulfonyl chloride (CID 87574434) is 1-butylcyclopropane-1-sulfonyl chloride.
What is the SMILES notation for 1-butylcyclopropane-1-sulfonyl chloride?
The canonical SMILES for 1-butylcyclopropane-1-sulfonyl chloride is CCCCC1(S(=O)(=O)Cl)CC1.
What is the InChIKey of 1-butylcyclopropane-1-sulfonyl chloride?
The InChIKey is WEHHAWDPCCAAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO2S/c1-2-3-4-7(5-6-7)11(8,9)10/h2-6H2,1H3.
What are the key properties of 1-butylcyclopropane-1-sulfonyl chloride?
1-butylcyclopropane-1-sulfonyl chloride has a molecular weight of 196.70 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylcyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 87574434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).