4-(aminomethyl)-2-fluoro-N-pentan-2-ylbenzenesulfonamide

C12H19FN2O2S — CID 114140395

IUPAC4-(aminomethyl)-2-fluoro-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(CN)cc1F
InChIInChI=1S/C12H19FN2O2S/c1-3-4-9(2)15-18(16,17)12-6-5-10(8-14)7-11(12)13/h5-7,9,15H,3-4,8,14H2,1-2H3
InChIKeyZDRLGJIFJZSZEN-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.75
Rot. Bonds6

About 4-(aminomethyl)-2-fluoro-N-pentan-2-ylbenzenesulfonamide

4-(aminomethyl)-2-fluoro-N-pentan-2-ylbenzenesulfonamide (PubChem CID 114140395) has the molecular formula C12H19FN2O2S and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-(aminomethyl)-2-fluoro-N-pentan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-fluoro-N-pentan-2-ylbenzenesulfonamide
PubChem CID114140395
Molecular FormulaC12H19FN2O2S
Molecular Weight274.36 g/mol
Exact Mass274.12
IUPAC Name4-(aminomethyl)-2-fluoro-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(CN)cc1F
InChIInChI=1S/C12H19FN2O2S/c1-3-4-9(2)15-18(16,17)12-6-5-10(8-14)7-11(12)13/h5-7,9,15H,3-4,8,14H2,1-2H3
InChIKeyZDRLGJIFJZSZEN-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide
CID 106083339
5-(aminomethyl)-2-bromo-N-pentan-2-ylbenzenesulfonamide
CID 106046490
5-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 106084609
4-(aminomethyl)-N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 79190769
4-bromo-2-fluoro-N-hexan-2-ylbenzenesulfonamide
CID 116528564
4-(aminomethyl)-N-hexan-3-yl-2-methoxybenzenesulfonamide
CID 106055431
5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-2-fluorobenzenesulfonamide
CID 106054235
2-amino-4-chloro-N-pentan-2-ylbenzenesulfonamide
CID 43107543
4-(aminomethyl)-2-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 106996805
4-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzenesulfonamide
CID 106054924
N-(1-aminopropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide
CID 63731769
(4-ethylsulfonyl-3-fluorophenyl)methanamine;hydrochloride
CID 91647705

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-fluoro-N-pentan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-fluoro-N-pentan-2-ylbenzenesulfonamide (CID 114140395) is 4-(aminomethyl)-2-fluoro-N-pentan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-fluoro-N-pentan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-fluoro-N-pentan-2-ylbenzenesulfonamide is CCCC(C)NS(=O)(=O)c1ccc(CN)cc1F.
What is the InChIKey of 4-(aminomethyl)-2-fluoro-N-pentan-2-ylbenzenesulfonamide?
The InChIKey is ZDRLGJIFJZSZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2S/c1-3-4-9(2)15-18(16,17)12-6-5-10(8-14)7-11(12)13/h5-7,9,15H,3-4,8,14H2,1-2H3.
What are the key properties of 4-(aminomethyl)-2-fluoro-N-pentan-2-ylbenzenesulfonamide?
4-(aminomethyl)-2-fluoro-N-pentan-2-ylbenzenesulfonamide has a molecular weight of 274.36 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-fluoro-N-pentan-2-ylbenzenesulfonamide is sourced from PubChem (CID 114140395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).