5-(aminomethyl)-3-fluoro-2-methyl-N-(2-methylpentan-2-yl)benzenesulfonamide

C14H23FN2O2S — CID 106079333

IUPAC5-(aminomethyl)-3-fluoro-2-methyl-N-(2-methylpentan-2-yl)benzenesulfonamide
SMILESCCCC(C)(C)NS(=O)(=O)c1cc(CN)cc(F)c1C
InChIInChI=1S/C14H23FN2O2S/c1-5-6-14(3,4)17-20(18,19)13-8-11(9-16)7-12(15)10(13)2/h7-8,17H,5-6,9,16H2,1-4H3
InChIKeyLEQTXJCABOWDQO-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.45
Rot. Bonds6

About 5-(aminomethyl)-3-fluoro-2-methyl-N-(2-methylpentan-2-yl)benzenesulfonamide

5-(aminomethyl)-3-fluoro-2-methyl-N-(2-methylpentan-2-yl)benzenesulfonamide (PubChem CID 106079333) has the molecular formula C14H23FN2O2S and a molecular weight of 302.42 g/mol. Its IUPAC name is 5-(aminomethyl)-3-fluoro-2-methyl-N-(2-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-3-fluoro-2-methyl-N-(2-methylpentan-2-yl)benzenesulfonamide
PubChem CID106079333
Molecular FormulaC14H23FN2O2S
Molecular Weight302.42 g/mol
Exact Mass302.15
IUPAC Name5-(aminomethyl)-3-fluoro-2-methyl-N-(2-methylpentan-2-yl)benzenesulfonamide
SMILESCCCC(C)(C)NS(=O)(=O)c1cc(CN)cc(F)c1C
InChIInChI=1S/C14H23FN2O2S/c1-5-6-14(3,4)17-20(18,19)13-8-11(9-16)7-12(15)10(13)2/h7-8,17H,5-6,9,16H2,1-4H3
InChIKeyLEQTXJCABOWDQO-UHFFFAOYSA-N
XLogP2.45
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-2,3-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331812
5-(aminomethyl)-N-[4-(dimethylamino)butyl]-3-fluoro-2-methylbenzenesulfonamide
CID 106051739
5-(aminomethyl)-3-fluoro-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106064732
5-(aminomethyl)-N-(cyclohexylmethyl)-3-fluoro-2-methylbenzenesulfonamide
CID 106027797
5-(aminomethyl)-3-fluoro-N-(4-methoxybutyl)-2-methylbenzenesulfonamide
CID 106053966
5-(aminomethyl)-3-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106081921
4-amino-3-fluoro-N-(2-methylpentan-2-yl)benzenesulfonamide
CID 113471557
5-(aminomethyl)-3-fluoro-N-(5-methoxypentyl)-2-methylbenzenesulfonamide
CID 106092701
5-(aminomethyl)-3-fluoro-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106060941
5-(aminomethyl)-3-fluoro-2-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 106072353
5-(aminomethyl)-3-fluoro-2-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 106090613
5-amino-3-fluoro-2-methyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327934

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-fluoro-2-methyl-N-(2-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-3-fluoro-2-methyl-N-(2-methylpentan-2-yl)benzenesulfonamide (CID 106079333) is 5-(aminomethyl)-3-fluoro-2-methyl-N-(2-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-3-fluoro-2-methyl-N-(2-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-3-fluoro-2-methyl-N-(2-methylpentan-2-yl)benzenesulfonamide is CCCC(C)(C)NS(=O)(=O)c1cc(CN)cc(F)c1C.
What is the InChIKey of 5-(aminomethyl)-3-fluoro-2-methyl-N-(2-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is LEQTXJCABOWDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2S/c1-5-6-14(3,4)17-20(18,19)13-8-11(9-16)7-12(15)10(13)2/h7-8,17H,5-6,9,16H2,1-4H3.
What are the key properties of 5-(aminomethyl)-3-fluoro-2-methyl-N-(2-methylpentan-2-yl)benzenesulfonamide?
5-(aminomethyl)-3-fluoro-2-methyl-N-(2-methylpentan-2-yl)benzenesulfonamide has a molecular weight of 302.42 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-fluoro-2-methyl-N-(2-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106079333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).