(Z,1Z)-2-ethyl-1-(3-methylidene-2-pyridinylidene)but-2-ene-1-sulfonyl chloride

C12H14ClNO2S — CID 167298111

IUPAC(Z,1Z)-2-ethyl-1-(3-methylidene-2-pyridinylidene)but-2-ene-1-sulfonyl chloride
SMILESC=c1cccn/c1=C(C(=C\C)/CC)\S(=O)(=O)Cl
InChIInChI=1S/C12H14ClNO2S/c1-4-10(5-2)12(17(13,15)16)11-9(3)7-6-8-14-11/h4,6-8H,3,5H2,1-2H3/b10-4-,12-11-
InChIKeyZXNVGAVDWXRLPW-LSHQYWQOSA-N
MW271.77 g/mol
LogP1.52
Rot. Bonds3

About (Z,1Z)-2-ethyl-1-(3-methylidene-2-pyridinylidene)but-2-ene-1-sulfonyl chloride

(Z,1Z)-2-ethyl-1-(3-methylidene-2-pyridinylidene)but-2-ene-1-sulfonyl chloride (PubChem CID 167298111) has the molecular formula C12H14ClNO2S and a molecular weight of 271.77 g/mol. Its IUPAC name is (Z,1Z)-2-ethyl-1-(3-methylidene-2-pyridinylidene)but-2-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name(Z,1Z)-2-ethyl-1-(3-methylidene-2-pyridinylidene)but-2-ene-1-sulfonyl chloride
PubChem CID167298111
Molecular FormulaC12H14ClNO2S
Molecular Weight271.77 g/mol
Exact Mass271.04
IUPAC Name(Z,1Z)-2-ethyl-1-(3-methylidene-2-pyridinylidene)but-2-ene-1-sulfonyl chloride
SMILESC=c1cccn/c1=C(C(=C\C)/CC)\S(=O)(=O)Cl
InChIInChI=1S/C12H14ClNO2S/c1-4-10(5-2)12(17(13,15)16)11-9(3)7-6-8-14-11/h4,6-8H,3,5H2,1-2H3/b10-4-,12-11-
InChIKeyZXNVGAVDWXRLPW-LSHQYWQOSA-N
XLogP1.52
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (Z,1Z)-2-ethyl-1-(3-methylidene-2-pyridinylidene)but-2-ene-1-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z,1Z)-2-ethyl-1-(3-methylidene-2-pyridinylidene)but-2-ene-1-sulfonyl chloride?
The IUPAC name of (Z,1Z)-2-ethyl-1-(3-methylidene-2-pyridinylidene)but-2-ene-1-sulfonyl chloride (CID 167298111) is (Z,1Z)-2-ethyl-1-(3-methylidene-2-pyridinylidene)but-2-ene-1-sulfonyl chloride.
What is the SMILES notation for (Z,1Z)-2-ethyl-1-(3-methylidene-2-pyridinylidene)but-2-ene-1-sulfonyl chloride?
The canonical SMILES for (Z,1Z)-2-ethyl-1-(3-methylidene-2-pyridinylidene)but-2-ene-1-sulfonyl chloride is C=c1cccn/c1=C(C(=C\C)/CC)\S(=O)(=O)Cl.
What is the InChIKey of (Z,1Z)-2-ethyl-1-(3-methylidene-2-pyridinylidene)but-2-ene-1-sulfonyl chloride?
The InChIKey is ZXNVGAVDWXRLPW-LSHQYWQOSA-N. The full InChI is InChI=1S/C12H14ClNO2S/c1-4-10(5-2)12(17(13,15)16)11-9(3)7-6-8-14-11/h4,6-8H,3,5H2,1-2H3/b10-4-,12-11-.
What are the key properties of (Z,1Z)-2-ethyl-1-(3-methylidene-2-pyridinylidene)but-2-ene-1-sulfonyl chloride?
(Z,1Z)-2-ethyl-1-(3-methylidene-2-pyridinylidene)but-2-ene-1-sulfonyl chloride has a molecular weight of 271.77 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1Z)-2-ethyl-1-(3-methylidene-2-pyridinylidene)but-2-ene-1-sulfonyl chloride is sourced from PubChem (CID 167298111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).