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

C10H13ClN2O4S — CID 55008419

IUPAC3-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)S(=O)(=O)c1cccnc1Cl)C(=O)O
InChIInChI=1S/C10H13ClN2O4S/c1-7(10(14)15)6-13(2)18(16,17)8-4-3-5-12-9(8)11/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyCPRKYISSMKWIPH-UHFFFAOYSA-N
MW292.74 g/mol
LogP1.08
Rot. Bonds5

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

3-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid (PubChem CID 55008419) has the molecular formula C10H13ClN2O4S and a molecular weight of 292.74 g/mol. Its IUPAC name is 3-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid
PubChem CID55008419
Molecular FormulaC10H13ClN2O4S
Molecular Weight292.74 g/mol
Exact Mass292.03
IUPAC Name3-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)S(=O)(=O)c1cccnc1Cl)C(=O)O
InChIInChI=1S/C10H13ClN2O4S/c1-7(10(14)15)6-13(2)18(16,17)8-4-3-5-12-9(8)11/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyCPRKYISSMKWIPH-UHFFFAOYSA-N
XLogP1.08
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoate
CID 61046465
4-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]butanoic acid
CID 43422935
2-chloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 43564507
2-chloro-N-methyl-N-pentylpyridine-3-sulfonamide
CID 43456976
2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 112698550
methyl 4-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]butanoate
CID 61047612
2-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 61047622
2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 61052630
2-[(2-chloro-3-pyridinyl)sulfonyl-ethylamino]-2-methylpropanoic acid
CID 62817489
2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide
CID 61047048
2-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]benzoic acid
CID 43621552
methyl 3-[(2-cyano-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoate
CID 106545523

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid (CID 55008419) is 3-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid is CC(CN(C)S(=O)(=O)c1cccnc1Cl)C(=O)O.
What is the InChIKey of 3-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid?
The InChIKey is CPRKYISSMKWIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O4S/c1-7(10(14)15)6-13(2)18(16,17)8-4-3-5-12-9(8)11/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of 3-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid?
3-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid has a molecular weight of 292.74 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 55008419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).