2-amino-3-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide

C13H21FN2O3S — CID 106113489

IUPAC2-amino-3-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
SMILESCCCC(CCO)CNS(=O)(=O)c1cccc(F)c1N
InChIInChI=1S/C13H21FN2O3S/c1-2-4-10(7-8-17)9-16-20(18,19)12-6-3-5-11(14)13(12)15/h3,5-6,10,16-17H,2,4,7-9,15H2,1H3
InChIKeyFDRBFKPKDFXBSF-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.48
Rot. Bonds8

About 2-amino-3-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide

2-amino-3-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide (PubChem CID 106113489) has the molecular formula C13H21FN2O3S and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
PubChem CID106113489
Molecular FormulaC13H21FN2O3S
Molecular Weight304.39 g/mol
Exact Mass304.13
IUPAC Name2-amino-3-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
SMILESCCCC(CCO)CNS(=O)(=O)c1cccc(F)c1N
InChIInChI=1S/C13H21FN2O3S/c1-2-4-10(7-8-17)9-16-20(18,19)12-6-3-5-11(14)13(12)15/h3,5-6,10,16-17H,2,4,7-9,15H2,1H3
InChIKeyFDRBFKPKDFXBSF-UHFFFAOYSA-N
XLogP1.48
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2,4-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113601
5-amino-2,3-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113511
5-amino-2-chloro-4-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113557
4-amino-2,6-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113473
2-amino-5-bromo-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113439
2-amino-3-fluoro-N-(2-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 107150701
2-amino-3-fluoro-N-(2-phenylpropyl)benzenesulfonamide
CID 62057429
2-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide
CID 65103391
3-chloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 103836329
2-amino-3-fluoro-N-hex-1-yn-3-ylbenzenesulfonamide
CID 106223729
3-fluoro-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzenesulfonamide
CID 103836369
5-chloro-N-[2-(2-hydroxyethyl)pentyl]thiophene-2-sulfonamide
CID 103836355

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide?
The IUPAC name of 2-amino-3-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide (CID 106113489) is 2-amino-3-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-3-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide?
The canonical SMILES for 2-amino-3-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide is CCCC(CCO)CNS(=O)(=O)c1cccc(F)c1N.
What is the InChIKey of 2-amino-3-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide?
The InChIKey is FDRBFKPKDFXBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O3S/c1-2-4-10(7-8-17)9-16-20(18,19)12-6-3-5-11(14)13(12)15/h3,5-6,10,16-17H,2,4,7-9,15H2,1H3.
What are the key properties of 2-amino-3-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide?
2-amino-3-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide has a molecular weight of 304.39 g/mol, XLogP of 1.48, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide is sourced from PubChem (CID 106113489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).