2-amino-5-fluoro-N-hexan-2-ylbenzenesulfonamide

C12H19FN2O2S — CID 62196910

IUPAC2-amino-5-fluoro-N-hexan-2-ylbenzenesulfonamide
SMILESCCCCC(C)NS(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C12H19FN2O2S/c1-3-4-5-9(2)15-18(16,17)12-8-10(13)6-7-11(12)14/h6-9,15H,3-5,14H2,1-2H3
InChIKeyYBPQJHNFZXDCDM-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.26
Rot. Bonds6

About 2-amino-5-fluoro-N-hexan-2-ylbenzenesulfonamide

2-amino-5-fluoro-N-hexan-2-ylbenzenesulfonamide (PubChem CID 62196910) has the molecular formula C12H19FN2O2S and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-hexan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-hexan-2-ylbenzenesulfonamide
PubChem CID62196910
Molecular FormulaC12H19FN2O2S
Molecular Weight274.36 g/mol
Exact Mass274.12
IUPAC Name2-amino-5-fluoro-N-hexan-2-ylbenzenesulfonamide
SMILESCCCCC(C)NS(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C12H19FN2O2S/c1-3-4-5-9(2)15-18(16,17)12-8-10(13)6-7-11(12)14/h6-9,15H,3-5,14H2,1-2H3
InChIKeyYBPQJHNFZXDCDM-UHFFFAOYSA-N
XLogP2.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.26
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

2-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 93398317
2-amino-N-hexan-2-yl-5-methylsulfonylbenzenesulfonamide
CID 62198995
2-amino-5-chloro-N-octan-2-ylbenzenesulfonamide
CID 63402410
2-amino-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61108154
4-amino-N-hexan-2-ylnaphthalene-1-sulfonamide
CID 115944465
2-amino-5-chloro-N-pentan-2-ylbenzenesulfonamide
CID 54888470
3-amino-N-hexan-2-yl-2-methylbenzenesulfonamide
CID 55050396
4-bromo-2-fluoro-N-hexan-2-ylbenzenesulfonamide
CID 116528564
3-amino-2,4-difluoro-N-octan-2-ylbenzenesulfonamide
CID 107343405
3-amino-5-bromo-N-hexan-2-yl-2-methylbenzenesulfonamide
CID 114379495
2-[(2-amino-5-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 54950967
2-amino-N-(2-butoxyethyl)-5-fluorobenzenesulfonamide
CID 61171428

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-hexan-2-ylbenzenesulfonamide?
The IUPAC name of 2-amino-5-fluoro-N-hexan-2-ylbenzenesulfonamide (CID 62196910) is 2-amino-5-fluoro-N-hexan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-amino-5-fluoro-N-hexan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-amino-5-fluoro-N-hexan-2-ylbenzenesulfonamide is CCCCC(C)NS(=O)(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-amino-5-fluoro-N-hexan-2-ylbenzenesulfonamide?
The InChIKey is YBPQJHNFZXDCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2S/c1-3-4-5-9(2)15-18(16,17)12-8-10(13)6-7-11(12)14/h6-9,15H,3-5,14H2,1-2H3.
What are the key properties of 2-amino-5-fluoro-N-hexan-2-ylbenzenesulfonamide?
2-amino-5-fluoro-N-hexan-2-ylbenzenesulfonamide has a molecular weight of 274.36 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-hexan-2-ylbenzenesulfonamide is sourced from PubChem (CID 62196910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).