5-amino-3-fluoro-2-methyl-N-propylbenzenesulfonamide

C10H15FN2O2S — CID 79896105

IUPAC5-amino-3-fluoro-2-methyl-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc(N)cc(F)c1C
InChIInChI=1S/C10H15FN2O2S/c1-3-4-13-16(14,15)10-6-8(12)5-9(11)7(10)2/h5-6,13H,3-4,12H2,1-2H3
InChIKeyVMBAKPXWEHYXNJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.40
Rot. Bonds4

About 5-amino-3-fluoro-2-methyl-N-propylbenzenesulfonamide

5-amino-3-fluoro-2-methyl-N-propylbenzenesulfonamide (PubChem CID 79896105) has the molecular formula C10H15FN2O2S and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-amino-3-fluoro-2-methyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-fluoro-2-methyl-N-propylbenzenesulfonamide
PubChem CID79896105
Molecular FormulaC10H15FN2O2S
Molecular Weight246.31 g/mol
Exact Mass246.08
IUPAC Name5-amino-3-fluoro-2-methyl-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc(N)cc(F)c1C
InChIInChI=1S/C10H15FN2O2S/c1-3-4-13-16(14,15)10-6-8(12)5-9(11)7(10)2/h5-6,13H,3-4,12H2,1-2H3
InChIKeyVMBAKPXWEHYXNJ-UHFFFAOYSA-N
XLogP1.40
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.40
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

5-amino-N-but-3-ynyl-3-fluoro-2-methylbenzenesulfonamide
CID 79896670
5-amino-N-[3-(diethylamino)propyl]-3-fluoro-2-methylbenzenesulfonamide
CID 79898608
4-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]butanamide
CID 79897336
5-amino-N-[3-(dimethylamino)propyl]-3-fluoro-2-methylbenzenesulfonamide
CID 79896277
5-amino-2-fluoro-3-methyl-N-propylbenzenesulfonamide
CID 80645551
5-amino-3-fluoro-2-methyl-N-(5,5,5-trifluoropentyl)benzenesulfonamide
CID 115515228
2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]ethyl carbamate
CID 83202378
ethyl 4-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]butanoate
CID 79901838
5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide
CID 79897066
5-amino-3-fluoro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzenesulfonamide
CID 106242638
5-amino-3-fluoro-2-methyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327934
3-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274893

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-fluoro-2-methyl-N-propylbenzenesulfonamide?
The IUPAC name of 5-amino-3-fluoro-2-methyl-N-propylbenzenesulfonamide (CID 79896105) is 5-amino-3-fluoro-2-methyl-N-propylbenzenesulfonamide.
What is the SMILES notation for 5-amino-3-fluoro-2-methyl-N-propylbenzenesulfonamide?
The canonical SMILES for 5-amino-3-fluoro-2-methyl-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1cc(N)cc(F)c1C.
What is the InChIKey of 5-amino-3-fluoro-2-methyl-N-propylbenzenesulfonamide?
The InChIKey is VMBAKPXWEHYXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2S/c1-3-4-13-16(14,15)10-6-8(12)5-9(11)7(10)2/h5-6,13H,3-4,12H2,1-2H3.
What are the key properties of 5-amino-3-fluoro-2-methyl-N-propylbenzenesulfonamide?
5-amino-3-fluoro-2-methyl-N-propylbenzenesulfonamide has a molecular weight of 246.31 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-fluoro-2-methyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 79896105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).