methyl 4-[(5-chloro-2-pyridinyl)sulfamoyl]butanoate

C10H13ClN2O4S — CID 54952429

IUPACmethyl 4-[(5-chloro-2-pyridinyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C10H13ClN2O4S/c1-17-10(14)3-2-6-18(15,16)13-9-5-4-8(11)7-12-9/h4-5,7H,2-3,6H2,1H3,(H,12,13)
InChIKeyJMGNQXNDILLOJY-UHFFFAOYSA-N
MW292.74 g/mol
LogP1.43
Rot. Bonds6

About methyl 4-[(5-chloro-2-pyridinyl)sulfamoyl]butanoate

methyl 4-[(5-chloro-2-pyridinyl)sulfamoyl]butanoate (PubChem CID 54952429) has the molecular formula C10H13ClN2O4S and a molecular weight of 292.74 g/mol. Its IUPAC name is methyl 4-[(5-chloro-2-pyridinyl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(5-chloro-2-pyridinyl)sulfamoyl]butanoate
PubChem CID54952429
Molecular FormulaC10H13ClN2O4S
Molecular Weight292.74 g/mol
Exact Mass292.03
IUPAC Namemethyl 4-[(5-chloro-2-pyridinyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C10H13ClN2O4S/c1-17-10(14)3-2-6-18(15,16)13-9-5-4-8(11)7-12-9/h4-5,7H,2-3,6H2,1H3,(H,12,13)
InChIKeyJMGNQXNDILLOJY-UHFFFAOYSA-N
XLogP1.43
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-chloro-2-pyridinyl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[(5-chloro-2-pyridinyl)sulfamoyl]butanoate (CID 54952429) is methyl 4-[(5-chloro-2-pyridinyl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[(5-chloro-2-pyridinyl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[(5-chloro-2-pyridinyl)sulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of methyl 4-[(5-chloro-2-pyridinyl)sulfamoyl]butanoate?
The InChIKey is JMGNQXNDILLOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O4S/c1-17-10(14)3-2-6-18(15,16)13-9-5-4-8(11)7-12-9/h4-5,7H,2-3,6H2,1H3,(H,12,13).
What are the key properties of methyl 4-[(5-chloro-2-pyridinyl)sulfamoyl]butanoate?
methyl 4-[(5-chloro-2-pyridinyl)sulfamoyl]butanoate has a molecular weight of 292.74 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-chloro-2-pyridinyl)sulfamoyl]butanoate is sourced from PubChem (CID 54952429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).