N-(2,4-difluoro-5-nitrophenyl)propane-1-sulfonamide

C9H10F2N2O4S — CID 60731623

IUPACN-(2,4-difluoro-5-nitrophenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc([N+](=O)[O-])c(F)cc1F
InChIInChI=1S/C9H10F2N2O4S/c1-2-3-18(16,17)12-8-5-9(13(14)15)7(11)4-6(8)10/h4-5,12H,2-3H2,1H3
InChIKeyWTOPUTKKFOKLCW-UHFFFAOYSA-N
MW280.25 g/mol
LogP2.02
Rot. Bonds5

About N-(2,4-difluoro-5-nitrophenyl)propane-1-sulfonamide

N-(2,4-difluoro-5-nitrophenyl)propane-1-sulfonamide (PubChem CID 60731623) has the molecular formula C9H10F2N2O4S and a molecular weight of 280.25 g/mol. Its IUPAC name is N-(2,4-difluoro-5-nitrophenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,4-difluoro-5-nitrophenyl)propane-1-sulfonamide
PubChem CID60731623
Molecular FormulaC9H10F2N2O4S
Molecular Weight280.25 g/mol
Exact Mass280.03
IUPAC NameN-(2,4-difluoro-5-nitrophenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc([N+](=O)[O-])c(F)cc1F
InChIInChI=1S/C9H10F2N2O4S/c1-2-3-18(16,17)12-8-5-9(13(14)15)7(11)4-6(8)10/h4-5,12H,2-3H2,1H3
InChIKeyWTOPUTKKFOKLCW-UHFFFAOYSA-N
XLogP2.02
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluoro-2-nitrophenyl)propane-1-sulfonamide
CID 60640769
N-[2-nitro-4-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 60640770
2-amino-N-(2,4-difluoro-5-nitrophenyl)pentanamide
CID 43709921
N-(2,4-difluoro-5-nitrophenyl)-1-propylpiperidin-4-amine
CID 43725113
N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide
CID 60640735
N-(2-fluoro-5-methylphenyl)propane-1-sulfonamide
CID 60641408
N-(2,4-difluoro-5-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275948
N'-tert-butyl-N-(2,4-difluoro-5-nitrophenyl)ethane-1,2-diamine
CID 107445129
N-(4-methyl-3-nitrophenyl)propane-1-sulfonamide
CID 60640313
2-(methylamino)-N-(2,4,5-trifluorophenyl)ethanesulfonamide
CID 62809009
2-[(2,4-difluoro-5-nitroanilino)methyl]-2-methylbutan-1-ol
CID 81413065
N-(2-chloro-4-nitrophenyl)propane-1-sulfonamide
CID 60641413

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluoro-5-nitrophenyl)propane-1-sulfonamide?
The IUPAC name of N-(2,4-difluoro-5-nitrophenyl)propane-1-sulfonamide (CID 60731623) is N-(2,4-difluoro-5-nitrophenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2,4-difluoro-5-nitrophenyl)propane-1-sulfonamide?
The canonical SMILES for N-(2,4-difluoro-5-nitrophenyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc([N+](=O)[O-])c(F)cc1F.
What is the InChIKey of N-(2,4-difluoro-5-nitrophenyl)propane-1-sulfonamide?
The InChIKey is WTOPUTKKFOKLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O4S/c1-2-3-18(16,17)12-8-5-9(13(14)15)7(11)4-6(8)10/h4-5,12H,2-3H2,1H3.
What are the key properties of N-(2,4-difluoro-5-nitrophenyl)propane-1-sulfonamide?
N-(2,4-difluoro-5-nitrophenyl)propane-1-sulfonamide has a molecular weight of 280.25 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluoro-5-nitrophenyl)propane-1-sulfonamide is sourced from PubChem (CID 60731623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).