4-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]butanoic acid

C10H13ClN2O4S — CID 43422935

IUPAC4-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C10H13ClN2O4S/c1-13(7-3-5-9(14)15)18(16,17)8-4-2-6-12-10(8)11/h2,4,6H,3,5,7H2,1H3,(H,14,15)
InChIKeyLSDFSGYSLSDTHB-UHFFFAOYSA-N
MW292.74 g/mol
LogP1.22
Rot. Bonds6

About 4-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]butanoic acid

4-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]butanoic acid (PubChem CID 43422935) has the molecular formula C10H13ClN2O4S and a molecular weight of 292.74 g/mol. Its IUPAC name is 4-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]butanoic acid
PubChem CID43422935
Molecular FormulaC10H13ClN2O4S
Molecular Weight292.74 g/mol
Exact Mass292.03
IUPAC Name4-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C10H13ClN2O4S/c1-13(7-3-5-9(14)15)18(16,17)8-4-2-6-12-10(8)11/h2,4,6H,3,5,7H2,1H3,(H,14,15)
InChIKeyLSDFSGYSLSDTHB-UHFFFAOYSA-N
XLogP1.22
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]butanoic acid?
The IUPAC name of 4-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]butanoic acid (CID 43422935) is 4-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]butanoic acid.
What is the SMILES notation for 4-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]butanoic acid?
The canonical SMILES for 4-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]butanoic acid is CN(CCCC(=O)O)S(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 4-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]butanoic acid?
The InChIKey is LSDFSGYSLSDTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O4S/c1-13(7-3-5-9(14)15)18(16,17)8-4-2-6-12-10(8)11/h2,4,6H,3,5,7H2,1H3,(H,14,15).
What are the key properties of 4-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]butanoic acid?
4-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]butanoic acid has a molecular weight of 292.74 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]butanoic acid is sourced from PubChem (CID 43422935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).