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

C10H15FN2O2S — CID 80645551

IUPAC5-amino-2-fluoro-3-methyl-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc(N)cc(C)c1F
InChIInChI=1S/C10H15FN2O2S/c1-3-4-13-16(14,15)9-6-8(12)5-7(2)10(9)11/h5-6,13H,3-4,12H2,1-2H3
InChIKeyNNXNXKCYUQPYRX-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.40
Rot. Bonds4

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

5-amino-2-fluoro-3-methyl-N-propylbenzenesulfonamide (PubChem CID 80645551) has the molecular formula C10H15FN2O2S and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-amino-2-fluoro-3-methyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-3-methyl-N-propylbenzenesulfonamide
PubChem CID80645551
Molecular FormulaC10H15FN2O2S
Molecular Weight246.31 g/mol
Exact Mass246.08
IUPAC Name5-amino-2-fluoro-3-methyl-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc(N)cc(C)c1F
InChIInChI=1S/C10H15FN2O2S/c1-3-4-13-16(14,15)9-6-8(12)5-7(2)10(9)11/h5-6,13H,3-4,12H2,1-2H3
InChIKeyNNXNXKCYUQPYRX-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-2-fluoro-3-methyl-N-(4-methylpentyl)benzenesulfonamide
CID 80646485
5-amino-3-fluoro-2-methyl-N-propylbenzenesulfonamide
CID 79896105
5-amino-N-(2-ethyl-2-hydroxybutyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80645577
4-amino-2,6-dimethyl-N-propylbenzenesulfonamide
CID 79588837
5-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-3-methylbenzenesulfonamide
CID 106006763
5-amino-2-fluoro-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034088
5-amino-2-fluoro-3-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 80645574
5-amino-2-fluoro-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 80645779
5-amino-2-fluoro-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 80628498
5-amino-2-fluoro-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82882446
5-amino-2-bromo-N-propylbenzenesulfonamide
CID 65202371
5-amino-N-(3,5-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629045

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-3-methyl-N-propylbenzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-3-methyl-N-propylbenzenesulfonamide (CID 80645551) is 5-amino-2-fluoro-3-methyl-N-propylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-3-methyl-N-propylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-3-methyl-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1cc(N)cc(C)c1F.
What is the InChIKey of 5-amino-2-fluoro-3-methyl-N-propylbenzenesulfonamide?
The InChIKey is NNXNXKCYUQPYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2S/c1-3-4-13-16(14,15)9-6-8(12)5-7(2)10(9)11/h5-6,13H,3-4,12H2,1-2H3.
What are the key properties of 5-amino-2-fluoro-3-methyl-N-propylbenzenesulfonamide?
5-amino-2-fluoro-3-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-2-fluoro-3-methyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 80645551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).