3-amino-4-fluoro-N-(4-propylphenyl)benzenesulfonamide

C15H17FN2O2S — CID 43378598

IUPAC3-amino-4-fluoro-N-(4-propylphenyl)benzenesulfonamide
SMILESCCCc1ccc(NS(=O)(=O)c2ccc(F)c(N)c2)cc1
InChIInChI=1S/C15H17FN2O2S/c1-2-3-11-4-6-12(7-5-11)18-21(19,20)13-8-9-14(16)15(17)10-13/h4-10,18H,2-3,17H2,1H3
InChIKeyLBBWWHHOWARTHN-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.16
Rot. Bonds5

About 3-amino-4-fluoro-N-(4-propylphenyl)benzenesulfonamide

3-amino-4-fluoro-N-(4-propylphenyl)benzenesulfonamide (PubChem CID 43378598) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-(4-propylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-(4-propylphenyl)benzenesulfonamide
PubChem CID43378598
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name3-amino-4-fluoro-N-(4-propylphenyl)benzenesulfonamide
SMILESCCCc1ccc(NS(=O)(=O)c2ccc(F)c(N)c2)cc1
InChIInChI=1S/C15H17FN2O2S/c1-2-3-11-4-6-12(7-5-11)18-21(19,20)13-8-9-14(16)15(17)10-13/h4-10,18H,2-3,17H2,1H3
InChIKeyLBBWWHHOWARTHN-UHFFFAOYSA-N
XLogP3.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(4-propylphenyl)benzenesulfonamide
CID 167013208
3-amino-5-fluoro-N-(4-propylphenyl)benzenesulfonamide
CID 63321784
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
3-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298458
N-(2-amino-4-chlorophenyl)-4-propylbenzenesulfonamide
CID 61072072
N-[4-(methylsulfamoyl)phenyl]-4-propylbenzenesulfonamide;molecular hydrogen
CID 177246502
N-[4-(tert-butylsulfamoyl)phenyl]-4-propylbenzenesulfonamide
CID 17380992
3-amino-N-(3-bromo-5-methylphenyl)-4-fluorobenzenesulfonamide
CID 107581716
3-amino-4-bromo-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide
CID 115329060
N-(2,6-difluorophenyl)-4-propylbenzenesulfonamide
CID 8500875
N-[4-(cyanomethyl)phenyl]-4-propylbenzenesulfonamide
CID 25042511
N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604875

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-(4-propylphenyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-fluoro-N-(4-propylphenyl)benzenesulfonamide (CID 43378598) is 3-amino-4-fluoro-N-(4-propylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-fluoro-N-(4-propylphenyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-fluoro-N-(4-propylphenyl)benzenesulfonamide is CCCc1ccc(NS(=O)(=O)c2ccc(F)c(N)c2)cc1.
What is the InChIKey of 3-amino-4-fluoro-N-(4-propylphenyl)benzenesulfonamide?
The InChIKey is LBBWWHHOWARTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-2-3-11-4-6-12(7-5-11)18-21(19,20)13-8-9-14(16)15(17)10-13/h4-10,18H,2-3,17H2,1H3.
What are the key properties of 3-amino-4-fluoro-N-(4-propylphenyl)benzenesulfonamide?
3-amino-4-fluoro-N-(4-propylphenyl)benzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-(4-propylphenyl)benzenesulfonamide is sourced from PubChem (CID 43378598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).