5-amino-2-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide

C14H23FN2O3S — CID 61140112

IUPAC5-amino-2-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCCCCCN(CCO)S(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C14H23FN2O3S/c1-2-3-4-5-8-17(9-10-18)21(19,20)14-11-12(16)6-7-13(14)15/h6-7,11,18H,2-5,8-10,16H2,1H3
InChIKeyVIBAJFHKTNLHIJ-UHFFFAOYSA-N
MW318.41 g/mol
LogP1.97
Rot. Bonds9

About 5-amino-2-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide

5-amino-2-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 61140112) has the molecular formula C14H23FN2O3S and a molecular weight of 318.41 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID61140112
Molecular FormulaC14H23FN2O3S
Molecular Weight318.41 g/mol
Exact Mass318.14
IUPAC Name5-amino-2-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCCCCCN(CCO)S(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C14H23FN2O3S/c1-2-3-4-5-8-17(9-10-18)21(19,20)14-11-12(16)6-7-13(14)15/h6-7,11,18H,2-5,8-10,16H2,1H3
InChIKeyVIBAJFHKTNLHIJ-UHFFFAOYSA-N
XLogP1.97
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.97
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

5-amino-2-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61140970
4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111455
5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 65020659
4-amino-2-[butyl(2-hydroxyethyl)sulfamoyl]benzoic acid
CID 102931046
4-amino-N-butyl-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111272
5-amino-N-butyl-N-(2-hydroxyethyl)-1H-indole-3-sulfonamide
CID 64850898
3-amino-N-butyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111452
5-amino-3-fluoro-N-(2-hydroxyethyl)-2-methyl-N-propylbenzenesulfonamide
CID 79897254
5-amino-N-ethyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 54879902
2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]acetamide
CID 103101009
4-bromo-3-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 103834154
5-amino-N,N-bis(2-cyanoethyl)-2-fluorobenzenesulfonamide
CID 61140977

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide (CID 61140112) is 5-amino-2-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide is CCCCCCN(CCO)S(=O)(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-2-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is VIBAJFHKTNLHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O3S/c1-2-3-4-5-8-17(9-10-18)21(19,20)14-11-12(16)6-7-13(14)15/h6-7,11,18H,2-5,8-10,16H2,1H3.
What are the key properties of 5-amino-2-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide?
5-amino-2-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 318.41 g/mol, XLogP of 1.97, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 61140112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).