N-(4-fluoro-2-nitrophenyl)propane-1-sulfonamide

C9H11FN2O4S — CID 60640769

IUPACN-(4-fluoro-2-nitrophenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C9H11FN2O4S/c1-2-5-17(15,16)11-8-4-3-7(10)6-9(8)12(13)14/h3-4,6,11H,2,5H2,1H3
InChIKeyGNHBLSJOIVXQJX-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.89
Rot. Bonds5

About N-(4-fluoro-2-nitrophenyl)propane-1-sulfonamide

N-(4-fluoro-2-nitrophenyl)propane-1-sulfonamide (PubChem CID 60640769) has the molecular formula C9H11FN2O4S and a molecular weight of 262.26 g/mol. Its IUPAC name is N-(4-fluoro-2-nitrophenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-2-nitrophenyl)propane-1-sulfonamide
PubChem CID60640769
Molecular FormulaC9H11FN2O4S
Molecular Weight262.26 g/mol
Exact Mass262.04
IUPAC NameN-(4-fluoro-2-nitrophenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C9H11FN2O4S/c1-2-5-17(15,16)11-8-4-3-7(10)6-9(8)12(13)14/h3-4,6,11H,2,5H2,1H3
InChIKeyGNHBLSJOIVXQJX-UHFFFAOYSA-N
XLogP1.89
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.89
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

3-[(4-fluoro-2-nitrophenyl)sulfamoyl]propanoic acid
CID 43361967
N-[2-nitro-4-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 60640770
N-(2,4-difluoro-5-nitrophenyl)propane-1-sulfonamide
CID 60731623
N-(2-chloro-4-fluorophenyl)propane-1-sulfonamide
CID 60640751
N-(4-hydroxy-2-nitrophenyl)decane-1-sulfonamide
CID 15982143
4-fluoro-2-nitro-N-pentan-3-ylaniline
CID 43218109
N-(4-chloro-2-nitrophenyl)ethanesulfonamide
CID 60642818
1-bromo-N-(5-fluoro-2-nitrophenyl)methanesulfonamide
CID 83085584
2-(4-fluoro-2-nitrophenyl)-1,1-dimethylhydrazine
CID 114449270
4-fluoro-N-(4-methylsulfonylbutan-2-yl)-2-nitroaniline
CID 133386764
N-(2-chloro-4-nitrophenyl)propane-1-sulfonamide
CID 60641413
4-fluoro-2-nitro-N-(2-propylcyclopropyl)aniline
CID 113245630

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-nitrophenyl)propane-1-sulfonamide?
The IUPAC name of N-(4-fluoro-2-nitrophenyl)propane-1-sulfonamide (CID 60640769) is N-(4-fluoro-2-nitrophenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(4-fluoro-2-nitrophenyl)propane-1-sulfonamide?
The canonical SMILES for N-(4-fluoro-2-nitrophenyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-fluoro-2-nitrophenyl)propane-1-sulfonamide?
The InChIKey is GNHBLSJOIVXQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O4S/c1-2-5-17(15,16)11-8-4-3-7(10)6-9(8)12(13)14/h3-4,6,11H,2,5H2,1H3.
What are the key properties of N-(4-fluoro-2-nitrophenyl)propane-1-sulfonamide?
N-(4-fluoro-2-nitrophenyl)propane-1-sulfonamide has a molecular weight of 262.26 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-nitrophenyl)propane-1-sulfonamide is sourced from PubChem (CID 60640769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).