2-amino-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide

C12H19FN2O3S — CID 107197608

IUPAC2-amino-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
SMILESCN(CCCCCO)S(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C12H19FN2O3S/c1-15(7-3-2-4-8-16)19(17,18)12-6-5-10(13)9-11(12)14/h5-6,9,16H,2-4,7-8,14H2,1H3
InChIKeyXUWKIQMOGNEMRU-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.19
Rot. Bonds7

About 2-amino-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide

2-amino-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide (PubChem CID 107197608) has the molecular formula C12H19FN2O3S and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
PubChem CID107197608
Molecular FormulaC12H19FN2O3S
Molecular Weight290.36 g/mol
Exact Mass290.11
IUPAC Name2-amino-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
SMILESCN(CCCCCO)S(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C12H19FN2O3S/c1-15(7-3-2-4-8-16)19(17,18)12-6-5-10(13)9-11(12)14/h5-6,9,16H,2-4,7-8,14H2,1H3
InChIKeyXUWKIQMOGNEMRU-UHFFFAOYSA-N
XLogP1.19
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-amino-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849981
5-amino-4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
CID 107197641
2-amino-5-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60986382
3-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 103924550
3-amino-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
CID 107197542
3-amino-4-fluoro-N-(5-hydroxypentyl)-N,2,6-trimethylbenzenesulfonamide
CID 107326329
4-(aminomethyl)-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
CID 107198936
2-amino-4-bromo-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 43258905
3-amino-N-(5-hydroxypentyl)-N,4-dimethylbenzenesulfonamide
CID 107197609
2-(aminomethyl)-3-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 107198959
N-(3-aminopropyl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 115318995
2-amino-N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide
CID 107197602

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide (CID 107197608) is 2-amino-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide is CN(CCCCCO)S(=O)(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide?
The InChIKey is XUWKIQMOGNEMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O3S/c1-15(7-3-2-4-8-16)19(17,18)12-6-5-10(13)9-11(12)14/h5-6,9,16H,2-4,7-8,14H2,1H3.
What are the key properties of 2-amino-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide?
2-amino-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide has a molecular weight of 290.36 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 107197608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).