2,6-difluoro-3-(propylsulfinylamino)benzoic acid

C10H11F2NO3S — CID 137483384

IUPAC2,6-difluoro-3-(propylsulfinylamino)benzoic acid
SMILESCCCS(=O)Nc1ccc(F)c(C(=O)O)c1F
InChIInChI=1S/C10H11F2NO3S/c1-2-5-17(16)13-7-4-3-6(11)8(9(7)12)10(14)15/h3-4,13H,2,5H2,1H3,(H,14,15)
InChIKeyQSKJNSUFEQRENJ-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.15
Rot. Bonds5

About 2,6-difluoro-3-(propylsulfinylamino)benzoic acid

2,6-difluoro-3-(propylsulfinylamino)benzoic acid (PubChem CID 137483384) has the molecular formula C10H11F2NO3S and a molecular weight of 263.26 g/mol. Its IUPAC name is 2,6-difluoro-3-(propylsulfinylamino)benzoic acid.

Molecular Properties

Compound Name2,6-difluoro-3-(propylsulfinylamino)benzoic acid
PubChem CID137483384
Molecular FormulaC10H11F2NO3S
Molecular Weight263.26 g/mol
Exact Mass263.04
IUPAC Name2,6-difluoro-3-(propylsulfinylamino)benzoic acid
SMILESCCCS(=O)Nc1ccc(F)c(C(=O)O)c1F
InChIInChI=1S/C10H11F2NO3S/c1-2-5-17(16)13-7-4-3-6(11)8(9(7)12)10(14)15/h3-4,13H,2,5H2,1H3,(H,14,15)
InChIKeyQSKJNSUFEQRENJ-UHFFFAOYSA-N
XLogP2.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-3-(propylamino)benzoic acid
CID 171338126
2,6-difluoro-3-(pentylsulfonylamino)benzoic acid
CID 135240282
3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoic acid
CID 67052501
3-carboxy-2,4-difluorobenzenesulfinate
CID 118469300
2-carboxy-1,3-difluoro-4-[propyl(sulfinato)amino]benzene
CID 68726268
2,6-difluoro-3-(2,2,2-trifluoroethylsulfanylamino)benzoic acid
CID 162557674
N-[3-[5-(1,2-dimethylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfinamide
CID 123623814
N-(3-amino-4-fluorophenyl)propane-1-sulfinamide
CID 130992661
2,4-difluoro-N-[methylidene(propyl)-λ4-sulfanyl]-3-propan-2-ylaniline
CID 162445203
2-fluoro-6-(propylamino)benzoic acid
CID 79522268
3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2,6-difluorobenzoic acid
CID 118177022
2,6-difluoro-3-(propylsulfanylamino)benzoyl chloride
CID 153394408

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-(propylsulfinylamino)benzoic acid?
The IUPAC name of 2,6-difluoro-3-(propylsulfinylamino)benzoic acid (CID 137483384) is 2,6-difluoro-3-(propylsulfinylamino)benzoic acid.
What is the SMILES notation for 2,6-difluoro-3-(propylsulfinylamino)benzoic acid?
The canonical SMILES for 2,6-difluoro-3-(propylsulfinylamino)benzoic acid is CCCS(=O)Nc1ccc(F)c(C(=O)O)c1F.
What is the InChIKey of 2,6-difluoro-3-(propylsulfinylamino)benzoic acid?
The InChIKey is QSKJNSUFEQRENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3S/c1-2-5-17(16)13-7-4-3-6(11)8(9(7)12)10(14)15/h3-4,13H,2,5H2,1H3,(H,14,15).
What are the key properties of 2,6-difluoro-3-(propylsulfinylamino)benzoic acid?
2,6-difluoro-3-(propylsulfinylamino)benzoic acid has a molecular weight of 263.26 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-(propylsulfinylamino)benzoic acid is sourced from PubChem (CID 137483384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).