4-chlorothieno[2,3-d]pyrimidine-6-sulfonyl chloride

C6H2Cl2N2O2S2 — CID 43455753

IUPAC4-chlorothieno[2,3-d]pyrimidine-6-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc2c(Cl)ncnc2s1
InChIInChI=1S/C6H2Cl2N2O2S2/c7-5-3-1-4(14(8,11)12)13-6(3)10-2-9-5/h1-2H
InChIKeyBUWGXOIEWUGBOA-UHFFFAOYSA-N
MW269.13 g/mol
LogP2.27
Rot. Bonds1

About 4-chlorothieno[2,3-d]pyrimidine-6-sulfonyl chloride

4-chlorothieno[2,3-d]pyrimidine-6-sulfonyl chloride (PubChem CID 43455753) has the molecular formula C6H2Cl2N2O2S2 and a molecular weight of 269.13 g/mol. Its IUPAC name is 4-chlorothieno[2,3-d]pyrimidine-6-sulfonyl chloride.

Molecular Properties

Compound Name4-chlorothieno[2,3-d]pyrimidine-6-sulfonyl chloride
PubChem CID43455753
Molecular FormulaC6H2Cl2N2O2S2
Molecular Weight269.13 g/mol
Exact Mass267.89
IUPAC Name4-chlorothieno[2,3-d]pyrimidine-6-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc2c(Cl)ncnc2s1
InChIInChI=1S/C6H2Cl2N2O2S2/c7-5-3-1-4(14(8,11)12)13-6(3)10-2-9-5/h1-2H
InChIKeyBUWGXOIEWUGBOA-UHFFFAOYSA-N
XLogP2.27
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chlorothieno[2,3-d]pyrimidine-6-sulfonyl chloride?
The IUPAC name of 4-chlorothieno[2,3-d]pyrimidine-6-sulfonyl chloride (CID 43455753) is 4-chlorothieno[2,3-d]pyrimidine-6-sulfonyl chloride.
What is the SMILES notation for 4-chlorothieno[2,3-d]pyrimidine-6-sulfonyl chloride?
The canonical SMILES for 4-chlorothieno[2,3-d]pyrimidine-6-sulfonyl chloride is O=S(=O)(Cl)c1cc2c(Cl)ncnc2s1.
What is the InChIKey of 4-chlorothieno[2,3-d]pyrimidine-6-sulfonyl chloride?
The InChIKey is BUWGXOIEWUGBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2N2O2S2/c7-5-3-1-4(14(8,11)12)13-6(3)10-2-9-5/h1-2H.
What are the key properties of 4-chlorothieno[2,3-d]pyrimidine-6-sulfonyl chloride?
4-chlorothieno[2,3-d]pyrimidine-6-sulfonyl chloride has a molecular weight of 269.13 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorothieno[2,3-d]pyrimidine-6-sulfonyl chloride is sourced from PubChem (CID 43455753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).