N-(2,4-difluoro-3-formylphenyl)pentane-3-sulfonamide

C12H15F2NO3S — CID 87087736

IUPACN-(2,4-difluoro-3-formylphenyl)pentane-3-sulfonamide
SMILESCCC(CC)S(=O)(=O)Nc1ccc(F)c(C=O)c1F
InChIInChI=1S/C12H15F2NO3S/c1-3-8(4-2)19(17,18)15-11-6-5-10(13)9(7-16)12(11)14/h5-8,15H,3-4H2,1-2H3
InChIKeyAWFJUBBGZHVQBS-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.71
Rot. Bonds6

About N-(2,4-difluoro-3-formylphenyl)pentane-3-sulfonamide

N-(2,4-difluoro-3-formylphenyl)pentane-3-sulfonamide (PubChem CID 87087736) has the molecular formula C12H15F2NO3S and a molecular weight of 291.32 g/mol. Its IUPAC name is N-(2,4-difluoro-3-formylphenyl)pentane-3-sulfonamide.

Molecular Properties

Compound NameN-(2,4-difluoro-3-formylphenyl)pentane-3-sulfonamide
PubChem CID87087736
Molecular FormulaC12H15F2NO3S
Molecular Weight291.32 g/mol
Exact Mass291.07
IUPAC NameN-(2,4-difluoro-3-formylphenyl)pentane-3-sulfonamide
SMILESCCC(CC)S(=O)(=O)Nc1ccc(F)c(C=O)c1F
InChIInChI=1S/C12H15F2NO3S/c1-3-8(4-2)19(17,18)15-11-6-5-10(13)9(7-16)12(11)14/h5-8,15H,3-4H2,1-2H3
InChIKeyAWFJUBBGZHVQBS-UHFFFAOYSA-N
XLogP2.71
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide
CID 53419003
2,6-difluoro-3-(propan-2-ylsulfanylamino)benzaldehyde
CID 143385078
1-(ethylamino)-N-(2,3,4-trifluorophenyl)propane-2-sulfonamide
CID 106058008
N-(2,4-difluoro-3-methanehydrazonoylphenyl)propane-1-sulfonamide
CID 168530000
1-amino-N-(2,6-difluoro-3-methylphenyl)butane-2-sulfonamide
CID 82818236
2,6-difluoro-3-methylbenzaldehyde
CID 2774137
(2,4-difluoro-3-formylphenyl)methanesulfonamide
CID 141294322
N-(2,4-difluoro-3-formylphenyl)-3,5-dimethylbenzenesulfinamide
CID 123333409
(2,4-difluoro-3-formylphenyl) propane-1-sulfonate
CID 90735941
N-(2,4-difluoro-3-propan-2-ylphenyl)propane-1-sulfonamide
CID 166951325
N-(2,3-difluorophenyl)-1-(propylamino)propane-2-sulfonamide
CID 106017484
3-(2,4-difluoro-3-formylphenoxy)-2,6-difluorobenzaldehyde
CID 142766285

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluoro-3-formylphenyl)pentane-3-sulfonamide?
The IUPAC name of N-(2,4-difluoro-3-formylphenyl)pentane-3-sulfonamide (CID 87087736) is N-(2,4-difluoro-3-formylphenyl)pentane-3-sulfonamide.
What is the SMILES notation for N-(2,4-difluoro-3-formylphenyl)pentane-3-sulfonamide?
The canonical SMILES for N-(2,4-difluoro-3-formylphenyl)pentane-3-sulfonamide is CCC(CC)S(=O)(=O)Nc1ccc(F)c(C=O)c1F.
What is the InChIKey of N-(2,4-difluoro-3-formylphenyl)pentane-3-sulfonamide?
The InChIKey is AWFJUBBGZHVQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3S/c1-3-8(4-2)19(17,18)15-11-6-5-10(13)9(7-16)12(11)14/h5-8,15H,3-4H2,1-2H3.
What are the key properties of N-(2,4-difluoro-3-formylphenyl)pentane-3-sulfonamide?
N-(2,4-difluoro-3-formylphenyl)pentane-3-sulfonamide has a molecular weight of 291.32 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluoro-3-formylphenyl)pentane-3-sulfonamide is sourced from PubChem (CID 87087736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).