2-cyclopropylpyrimidine-5-sulfonyl chloride

C7H7ClN2O2S — CID 130116312

IUPAC2-cyclopropylpyrimidine-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc(C2CC2)nc1
InChIInChI=1S/C7H7ClN2O2S/c8-13(11,12)6-3-9-7(10-4-6)5-1-2-5/h3-5H,1-2H2
InChIKeyHEPAUKZGGMOXPN-UHFFFAOYSA-N
MW218.66 g/mol
LogP1.28
Rot. Bonds2

About 2-cyclopropylpyrimidine-5-sulfonyl chloride

2-cyclopropylpyrimidine-5-sulfonyl chloride (PubChem CID 130116312) has the molecular formula C7H7ClN2O2S and a molecular weight of 218.66 g/mol. Its IUPAC name is 2-cyclopropylpyrimidine-5-sulfonyl chloride.

Molecular Properties

Compound Name2-cyclopropylpyrimidine-5-sulfonyl chloride
PubChem CID130116312
Molecular FormulaC7H7ClN2O2S
Molecular Weight218.66 g/mol
Exact Mass217.99
IUPAC Name2-cyclopropylpyrimidine-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc(C2CC2)nc1
InChIInChI=1S/C7H7ClN2O2S/c8-13(11,12)6-3-9-7(10-4-6)5-1-2-5/h3-5H,1-2H2
InChIKeyHEPAUKZGGMOXPN-UHFFFAOYSA-N
XLogP1.28
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.66
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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5-(Tert-butylsulfonyl)-2-methylpyrimidin-4-amine
CID 2778601
US10058550, Example 676.0
CID 122701357
Pyrimidine-5-sulfonamide
CID 19091293
2-Chloropyrimidine-5-sulfonyl chloride
CID 43244366
2-Chloro-5-methanesulfonylpyrimidine
CID 15653482
2-Aminopyrimidine-5-sulfonyl chloride
CID 15885618
2-Amino-5-pyrimidinesulfonamide
CID 53420996
2-Methoxypyrimidine-5-sulfonyl chloride
CID 84025904
2-(Trifluoromethyl)pyrimidine-5-sulfonyl chloride
CID 130116306
5-(Methanesulfonyl)pyrimidine
CID 13546183
Pyrimidine-5-sulfonyl fluoride
CID 145876204

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylpyrimidine-5-sulfonyl chloride?
The IUPAC name of 2-cyclopropylpyrimidine-5-sulfonyl chloride (CID 130116312) is 2-cyclopropylpyrimidine-5-sulfonyl chloride.
What is the SMILES notation for 2-cyclopropylpyrimidine-5-sulfonyl chloride?
The canonical SMILES for 2-cyclopropylpyrimidine-5-sulfonyl chloride is O=S(=O)(Cl)c1cnc(C2CC2)nc1.
What is the InChIKey of 2-cyclopropylpyrimidine-5-sulfonyl chloride?
The InChIKey is HEPAUKZGGMOXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2S/c8-13(11,12)6-3-9-7(10-4-6)5-1-2-5/h3-5H,1-2H2.
What are the key properties of 2-cyclopropylpyrimidine-5-sulfonyl chloride?
2-cyclopropylpyrimidine-5-sulfonyl chloride has a molecular weight of 218.66 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylpyrimidine-5-sulfonyl chloride is sourced from PubChem (CID 130116312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).