2-amino-4-fluoro-N-methyl-N-pentylbenzenesulfonamide

C12H19FN2O2S — CID 43294587

IUPAC2-amino-4-fluoro-N-methyl-N-pentylbenzenesulfonamide
SMILESCCCCCN(C)S(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C12H19FN2O2S/c1-3-4-5-8-15(2)18(16,17)12-7-6-10(13)9-11(12)14/h6-7,9H,3-5,8,14H2,1-2H3
InChIKeyOZLHJBRXDBEFEH-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.22
Rot. Bonds6

About 2-amino-4-fluoro-N-methyl-N-pentylbenzenesulfonamide

2-amino-4-fluoro-N-methyl-N-pentylbenzenesulfonamide (PubChem CID 43294587) has the molecular formula C12H19FN2O2S and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-methyl-N-pentylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-methyl-N-pentylbenzenesulfonamide
PubChem CID43294587
Molecular FormulaC12H19FN2O2S
Molecular Weight274.36 g/mol
Exact Mass274.12
IUPAC Name2-amino-4-fluoro-N-methyl-N-pentylbenzenesulfonamide
SMILESCCCCCN(C)S(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C12H19FN2O2S/c1-3-4-5-8-15(2)18(16,17)12-7-6-10(13)9-11(12)14/h6-7,9H,3-5,8,14H2,1-2H3
InChIKeyOZLHJBRXDBEFEH-UHFFFAOYSA-N
XLogP2.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Aminobenzenesulfonamide
CID 72894
4-Amino-3-fluorobenzene-1-sulfonamide
CID 4687472
4-amino-N,N-diethylbenzene-1-sulfonamide
CID 95067
2-Amino-N-cyclohexyl-N-methylbenzenesulfonamide
CID 116814
4-Fluoro-N-phenylbenzenesulfonamide
CID 67559
Benzenesulfonamide, 4-amino-N,N-dimethyl-
CID 74369
4-Amino-N-(4-fluorophenyl)benzenesulfonamide
CID 200282
4-(Pyrrolidine-1-sulfonyl)aniline
CID 535805
4-amino-N-propylbenzenesulfonamide
CID 2065546
N-(4-fluorophenyl)benzenesulfonamide
CID 295229
4-Amino-N-(2-methylpropyl)benzenesulfonamide
CID 860617
4-Amino-N-(2-(dimethylamino)ethyl)benzenesulfonamide
CID 203438

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-methyl-N-pentylbenzenesulfonamide?
The IUPAC name of 2-amino-4-fluoro-N-methyl-N-pentylbenzenesulfonamide (CID 43294587) is 2-amino-4-fluoro-N-methyl-N-pentylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-fluoro-N-methyl-N-pentylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-fluoro-N-methyl-N-pentylbenzenesulfonamide is CCCCCN(C)S(=O)(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-4-fluoro-N-methyl-N-pentylbenzenesulfonamide?
The InChIKey is OZLHJBRXDBEFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2S/c1-3-4-5-8-15(2)18(16,17)12-7-6-10(13)9-11(12)14/h6-7,9H,3-5,8,14H2,1-2H3.
What are the key properties of 2-amino-4-fluoro-N-methyl-N-pentylbenzenesulfonamide?
2-amino-4-fluoro-N-methyl-N-pentylbenzenesulfonamide has a molecular weight of 274.36 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-methyl-N-pentylbenzenesulfonamide is sourced from PubChem (CID 43294587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).