(Z)-3-chloroprop-2-ene-1-sulfonyl chloride

C3H4Cl2O2S — CID 124603614

IUPAC(Z)-3-chloroprop-2-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C/C=C\Cl
InChIInChI=1S/C3H4Cl2O2S/c4-2-1-3-8(5,6)7/h1-2H,3H2/b2-1-
InChIKeyOZTXHUAINKWGIO-UPHRSURJSA-N
MW175.04 g/mol
LogP1.31
Rot. Bonds2

About (Z)-3-chloroprop-2-ene-1-sulfonyl chloride

(Z)-3-chloroprop-2-ene-1-sulfonyl chloride (PubChem CID 124603614) has the molecular formula C3H4Cl2O2S and a molecular weight of 175.04 g/mol. Its IUPAC name is (Z)-3-chloroprop-2-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name(Z)-3-chloroprop-2-ene-1-sulfonyl chloride
PubChem CID124603614
Molecular FormulaC3H4Cl2O2S
Molecular Weight175.04 g/mol
Exact Mass173.93
IUPAC Name(Z)-3-chloroprop-2-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C/C=C\Cl
InChIInChI=1S/C3H4Cl2O2S/c4-2-1-3-8(5,6)7/h1-2H,3H2/b2-1-
InChIKeyOZTXHUAINKWGIO-UPHRSURJSA-N
XLogP1.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.04
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Chloroprop-2-ene-1-sulfonyl chloride
CID 13971496
3-Chloroprop-1-ene-2-sulfonyl chloride
CID 55280037
3-Chloroprop-2-ene-1-sulfonyl chloride
CID 55280158
CID 168158763
CID 168158763
3-Chloroprop-2-ene-1-sulfonyl fluoride
CID 165453289
4-Chlorobut-2-ene-1-sulfonic acid
CID 4306843
(Z)-3-chloroprop-2-ene-1-sulfonamide
CID 11094865
(E)-3-chloroprop-2-ene-1-sulfonic acid
CID 11105607
(E)-3,3-dichloroprop-1-ene-1-sulfonic acid
CID 20326794
(E)-3-chloroprop-1-ene-1-sulfonic acid
CID 20326796
1-Chloroprop-2-ene-1-sulfonic acid
CID 20364287
1-Chloroprop-2-ene-1-sulfonyl chloride
CID 21419212

Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloroprop-2-ene-1-sulfonyl chloride?
The IUPAC name of (Z)-3-chloroprop-2-ene-1-sulfonyl chloride (CID 124603614) is (Z)-3-chloroprop-2-ene-1-sulfonyl chloride.
What is the SMILES notation for (Z)-3-chloroprop-2-ene-1-sulfonyl chloride?
The canonical SMILES for (Z)-3-chloroprop-2-ene-1-sulfonyl chloride is O=S(=O)(Cl)C/C=C\Cl.
What is the InChIKey of (Z)-3-chloroprop-2-ene-1-sulfonyl chloride?
The InChIKey is OZTXHUAINKWGIO-UPHRSURJSA-N. The full InChI is InChI=1S/C3H4Cl2O2S/c4-2-1-3-8(5,6)7/h1-2H,3H2/b2-1-.
What are the key properties of (Z)-3-chloroprop-2-ene-1-sulfonyl chloride?
(Z)-3-chloroprop-2-ene-1-sulfonyl chloride has a molecular weight of 175.04 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloroprop-2-ene-1-sulfonyl chloride is sourced from PubChem (CID 124603614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).