3,4-difluoro-N-(2-methylpropoxy)benzenesulfonamide

C10H13F2NO3S — CID 82715795

IUPAC3,4-difluoro-N-(2-methylpropoxy)benzenesulfonamide
SMILESCC(C)CONS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H13F2NO3S/c1-7(2)6-16-13-17(14,15)8-3-4-9(11)10(12)5-8/h3-5,7,13H,6H2,1-2H3
InChIKeyMAGYJKXRKYKYEF-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.83
Rot. Bonds5

About 3,4-difluoro-N-(2-methylpropoxy)benzenesulfonamide

3,4-difluoro-N-(2-methylpropoxy)benzenesulfonamide (PubChem CID 82715795) has the molecular formula C10H13F2NO3S and a molecular weight of 265.28 g/mol. Its IUPAC name is 3,4-difluoro-N-(2-methylpropoxy)benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-(2-methylpropoxy)benzenesulfonamide
PubChem CID82715795
Molecular FormulaC10H13F2NO3S
Molecular Weight265.28 g/mol
Exact Mass265.06
IUPAC Name3,4-difluoro-N-(2-methylpropoxy)benzenesulfonamide
SMILESCC(C)CONS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H13F2NO3S/c1-7(2)6-16-13-17(14,15)8-3-4-9(11)10(12)5-8/h3-5,7,13H,6H2,1-2H3
InChIKeyMAGYJKXRKYKYEF-UHFFFAOYSA-N
XLogP1.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-(2-methylpropoxy)benzenesulfonamide
CID 82715459
4-methyl-N-(2-methylpropoxy)-3-nitrobenzenesulfonamide
CID 82715574
N-[4-(2-methylpropoxysulfamoyl)phenyl]acetamide
CID 82716009
2-chloro-N-(2-methylpropoxy)quinoline-6-sulfonamide
CID 107856698
N-(1-bromopropan-2-yl)-3,4-difluorobenzenesulfonamide
CID 114294366
N-[(2R)-1-aminopropan-2-yl]-3,4-difluorobenzenesulfonamide
CID 104873374
methyl 2-[(3,4-difluorophenyl)sulfonylamino]-4-methylpentanoate
CID 43404938
N-(3,4-difluorophenyl)sulfonyl-2-methylpropanamide
CID 47271271
2-chloro-N-(2-methylpropoxy)-5-methylsulfonylbenzenesulfonamide
CID 82715577
N-(2-methylpropoxy)pyridine-3-sulfonamide
CID 82715021
N-(4-bromopentan-2-yl)-3,4-difluorobenzenesulfonamide
CID 113376804
1-(3,4-difluorophenyl)-N-(2-methylpropoxy)methanamine
CID 82709732

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(2-methylpropoxy)benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-(2-methylpropoxy)benzenesulfonamide (CID 82715795) is 3,4-difluoro-N-(2-methylpropoxy)benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-(2-methylpropoxy)benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-(2-methylpropoxy)benzenesulfonamide is CC(C)CONS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(2-methylpropoxy)benzenesulfonamide?
The InChIKey is MAGYJKXRKYKYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO3S/c1-7(2)6-16-13-17(14,15)8-3-4-9(11)10(12)5-8/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 3,4-difluoro-N-(2-methylpropoxy)benzenesulfonamide?
3,4-difluoro-N-(2-methylpropoxy)benzenesulfonamide has a molecular weight of 265.28 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(2-methylpropoxy)benzenesulfonamide is sourced from PubChem (CID 82715795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).