(2R)-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-3-methylbutanoic acid

C10H13FN2O4S — CID 79011040

IUPAC(2R)-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NS(=O)(=O)c1cncc(F)c1)C(=O)O
InChIInChI=1S/C10H13FN2O4S/c1-6(2)9(10(14)15)13-18(16,17)8-3-7(11)4-12-5-8/h3-6,9,13H,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyGZCNFDKIPHAMAJ-SECBINFHSA-N
MW276.29 g/mol
LogP0.61
Rot. Bonds5

About (2R)-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-3-methylbutanoic acid

(2R)-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-3-methylbutanoic acid (PubChem CID 79011040) has the molecular formula C10H13FN2O4S and a molecular weight of 276.29 g/mol. Its IUPAC name is (2R)-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-3-methylbutanoic acid
PubChem CID79011040
Molecular FormulaC10H13FN2O4S
Molecular Weight276.29 g/mol
Exact Mass276.06
IUPAC Name(2R)-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NS(=O)(=O)c1cncc(F)c1)C(=O)O
InChIInChI=1S/C10H13FN2O4S/c1-6(2)9(10(14)15)13-18(16,17)8-3-7(11)4-12-5-8/h3-6,9,13H,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyGZCNFDKIPHAMAJ-SECBINFHSA-N
XLogP0.61
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-3-methylbutanoic 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

N-(4-aminobutan-2-yl)-5-fluoropyridine-3-sulfonamide
CID 62093672
2-[(3-fluoro-5-methoxycarbonylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 122067948
(2R)-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 107326444
2-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 122067838
(2S)-3-methyl-2-(1H-pyrazol-4-ylsulfonylamino)butanoic acid
CID 61138000
5-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide
CID 65034557
3-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]butanoic acid
CID 122067949
(2R)-2-[(5-fluoro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 79010727
(2S)-2-(benzenesulfonamido)-3-methylbutanoic acid;methane
CID 158887122
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 43237791
(2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 7127688
(2S)-3-methyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]butanoic acid;hydrate
CID 132776903

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-3-methylbutanoic acid (CID 79011040) is (2R)-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-3-methylbutanoic acid is CC(C)[C@@H](NS(=O)(=O)c1cncc(F)c1)C(=O)O.
What is the InChIKey of (2R)-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-3-methylbutanoic acid?
The InChIKey is GZCNFDKIPHAMAJ-SECBINFHSA-N. The full InChI is InChI=1S/C10H13FN2O4S/c1-6(2)9(10(14)15)13-18(16,17)8-3-7(11)4-12-5-8/h3-6,9,13H,1-2H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-3-methylbutanoic acid?
(2R)-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-3-methylbutanoic acid has a molecular weight of 276.29 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-3-methylbutanoic acid is sourced from PubChem (CID 79011040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).