5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide

C10H15FN2O3S — CID 64928220

IUPAC5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
SMILESCC(O)CCNS(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C10H15FN2O3S/c1-7(14)4-5-13-17(15,16)10-6-8(12)2-3-9(10)11/h2-3,6-7,13-14H,4-5,12H2,1H3
InChIKeyRLXNVPOKGNYVME-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.46
Rot. Bonds5

About 5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide

5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide (PubChem CID 64928220) has the molecular formula C10H15FN2O3S and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
PubChem CID64928220
Molecular FormulaC10H15FN2O3S
Molecular Weight262.31 g/mol
Exact Mass262.08
IUPAC Name5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
SMILESCC(O)CCNS(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C10H15FN2O3S/c1-7(14)4-5-13-17(15,16)10-6-8(12)2-3-9(10)11/h2-3,6-7,13-14H,4-5,12H2,1H3
InChIKeyRLXNVPOKGNYVME-UHFFFAOYSA-N
XLogP0.46
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.46
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

4-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64929989
5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498706
3-amino-2,4-difluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 107343624
5-amino-N-(3-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 64928024
5-amino-2-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333323
methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]propanoate
CID 43665947
2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43567667
5-amino-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide
CID 66175882
5-amino-2-fluoro-N-(2-phenylpropyl)benzenesulfonamide
CID 61109845
4-amino-3-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 82844340
4-chloro-N-(3-hydroxybutyl)-2-methylbenzenesulfonamide
CID 64913110
5-amino-2-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66179689

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide (CID 64928220) is 5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide is CC(O)CCNS(=O)(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide?
The InChIKey is RLXNVPOKGNYVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3S/c1-7(14)4-5-13-17(15,16)10-6-8(12)2-3-9(10)11/h2-3,6-7,13-14H,4-5,12H2,1H3.
What are the key properties of 5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide?
5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide has a molecular weight of 262.31 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide is sourced from PubChem (CID 64928220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).