methyl 1-[(5-chloro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxylate

C10H10ClNO4S — CID 168998488

IUPACmethyl 1-[(5-chloro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(S(=O)(=O)c2ccc(Cl)cn2)CC1
InChIInChI=1S/C10H10ClNO4S/c1-16-9(13)10(4-5-10)17(14,15)8-3-2-7(11)6-12-8/h2-3,6H,4-5H2,1H3
InChIKeyFHRQIPJPWBRMOB-UHFFFAOYSA-N
MW275.71 g/mol
LogP1.21
Rot. Bonds3

About methyl 1-[(5-chloro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxylate

methyl 1-[(5-chloro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxylate (PubChem CID 168998488) has the molecular formula C10H10ClNO4S and a molecular weight of 275.71 g/mol. Its IUPAC name is methyl 1-[(5-chloro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(5-chloro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxylate
PubChem CID168998488
Molecular FormulaC10H10ClNO4S
Molecular Weight275.71 g/mol
Exact Mass275.00
IUPAC Namemethyl 1-[(5-chloro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(S(=O)(=O)c2ccc(Cl)cn2)CC1
InChIInChI=1S/C10H10ClNO4S/c1-16-9(13)10(4-5-10)17(14,15)8-3-2-7(11)6-12-8/h2-3,6H,4-5H2,1H3
InChIKeyFHRQIPJPWBRMOB-UHFFFAOYSA-N
XLogP1.21
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(5-chloro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[(5-chloro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxylate (CID 168998488) is methyl 1-[(5-chloro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[(5-chloro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[(5-chloro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxylate is COC(=O)C1(S(=O)(=O)c2ccc(Cl)cn2)CC1.
What is the InChIKey of methyl 1-[(5-chloro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxylate?
The InChIKey is FHRQIPJPWBRMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO4S/c1-16-9(13)10(4-5-10)17(14,15)8-3-2-7(11)6-12-8/h2-3,6H,4-5H2,1H3.
What are the key properties of methyl 1-[(5-chloro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxylate?
methyl 1-[(5-chloro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxylate has a molecular weight of 275.71 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(5-chloro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 168998488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).