2-[[(2,5-difluoro-4-methylphenyl)sulfonylamino]methyl]-4-methylpentanoic acid

C14H19F2NO4S — CID 120660381

IUPAC2-[[(2,5-difluoro-4-methylphenyl)sulfonylamino]methyl]-4-methylpentanoic acid
SMILESCc1cc(F)c(S(=O)(=O)NCC(CC(C)C)C(=O)O)cc1F
InChIInChI=1S/C14H19F2NO4S/c1-8(2)4-10(14(18)19)7-17-22(20,21)13-6-11(15)9(3)5-12(13)16/h5-6,8,10,17H,4,7H2,1-3H3,(H,18,19)
InChIKeyYRFAMCFAURQDKC-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.30
Rot. Bonds7

About 2-[[(2,5-difluoro-4-methylphenyl)sulfonylamino]methyl]-4-methylpentanoic acid

2-[[(2,5-difluoro-4-methylphenyl)sulfonylamino]methyl]-4-methylpentanoic acid (PubChem CID 120660381) has the molecular formula C14H19F2NO4S and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-[[(2,5-difluoro-4-methylphenyl)sulfonylamino]methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[(2,5-difluoro-4-methylphenyl)sulfonylamino]methyl]-4-methylpentanoic acid
PubChem CID120660381
Molecular FormulaC14H19F2NO4S
Molecular Weight335.37 g/mol
Exact Mass335.10
IUPAC Name2-[[(2,5-difluoro-4-methylphenyl)sulfonylamino]methyl]-4-methylpentanoic acid
SMILESCc1cc(F)c(S(=O)(=O)NCC(CC(C)C)C(=O)O)cc1F
InChIInChI=1S/C14H19F2NO4S/c1-8(2)4-10(14(18)19)7-17-22(20,21)13-6-11(15)9(3)5-12(13)16/h5-6,8,10,17H,4,7H2,1-3H3,(H,18,19)
InChIKeyYRFAMCFAURQDKC-UHFFFAOYSA-N
XLogP2.30
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[(2,5-difluoro-4-methylphenyl)sulfonylamino]methyl]-4-methylpentanoic 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

2,5-difluoro-4-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825289
2-[[(3-chloro-5-fluorophenyl)sulfonylamino]methyl]-4-methylpentanoic acid
CID 120660622
2-[[(2-fluoro-5-methylphenyl)sulfonylamino]methyl]butanoic acid
CID 65222888
4-methyl-2-[[(3-methylquinolin-8-yl)sulfonylamino]methyl]pentanoic acid
CID 120660685
3-[(2,5-difluoro-4-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071452
4-methyl-2-[[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid
CID 103414340
2-[[[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonylamino]methyl]-4-methylpentanoic acid
CID 120660555
2-[[(2,6-dimethoxyphenyl)sulfonylamino]methyl]-4-methylpentanoic acid
CID 120660620
2-[[(5-chloro-3-pyridinyl)sulfonylamino]methyl]-4-methylpentanoic acid
CID 120660469
3-fluoro-4-methyl-5-(2-methylpropylsulfamoyl)benzoic acid
CID 43510378
2,4,5-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825556
4-methyl-2-[[(3-propanoylphenyl)sulfonylamino]methyl]pentanoic acid
CID 120660695

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,5-difluoro-4-methylphenyl)sulfonylamino]methyl]-4-methylpentanoic acid?
The IUPAC name of 2-[[(2,5-difluoro-4-methylphenyl)sulfonylamino]methyl]-4-methylpentanoic acid (CID 120660381) is 2-[[(2,5-difluoro-4-methylphenyl)sulfonylamino]methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[(2,5-difluoro-4-methylphenyl)sulfonylamino]methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[[(2,5-difluoro-4-methylphenyl)sulfonylamino]methyl]-4-methylpentanoic acid is Cc1cc(F)c(S(=O)(=O)NCC(CC(C)C)C(=O)O)cc1F.
What is the InChIKey of 2-[[(2,5-difluoro-4-methylphenyl)sulfonylamino]methyl]-4-methylpentanoic acid?
The InChIKey is YRFAMCFAURQDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO4S/c1-8(2)4-10(14(18)19)7-17-22(20,21)13-6-11(15)9(3)5-12(13)16/h5-6,8,10,17H,4,7H2,1-3H3,(H,18,19).
What are the key properties of 2-[[(2,5-difluoro-4-methylphenyl)sulfonylamino]methyl]-4-methylpentanoic acid?
2-[[(2,5-difluoro-4-methylphenyl)sulfonylamino]methyl]-4-methylpentanoic acid has a molecular weight of 335.37 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,5-difluoro-4-methylphenyl)sulfonylamino]methyl]-4-methylpentanoic acid is sourced from PubChem (CID 120660381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).