4-amino-N-[(2-fluorophenyl)methyl]-N-methylbutane-1-sulfonamide

C12H19FN2O2S — CID 54952198

IUPAC4-amino-N-[(2-fluorophenyl)methyl]-N-methylbutane-1-sulfonamide
SMILESCN(Cc1ccccc1F)S(=O)(=O)CCCCN
InChIInChI=1S/C12H19FN2O2S/c1-15(18(16,17)9-5-4-8-14)10-11-6-2-3-7-12(11)13/h2-3,6-7H,4-5,8-10,14H2,1H3
InChIKeyJSACJANQZLBCSE-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.33
Rot. Bonds7

About 4-amino-N-[(2-fluorophenyl)methyl]-N-methylbutane-1-sulfonamide

4-amino-N-[(2-fluorophenyl)methyl]-N-methylbutane-1-sulfonamide (PubChem CID 54952198) has the molecular formula C12H19FN2O2S and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-amino-N-[(2-fluorophenyl)methyl]-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[(2-fluorophenyl)methyl]-N-methylbutane-1-sulfonamide
PubChem CID54952198
Molecular FormulaC12H19FN2O2S
Molecular Weight274.36 g/mol
Exact Mass274.12
IUPAC Name4-amino-N-[(2-fluorophenyl)methyl]-N-methylbutane-1-sulfonamide
SMILESCN(Cc1ccccc1F)S(=O)(=O)CCCCN
InChIInChI=1S/C12H19FN2O2S/c1-15(18(16,17)9-5-4-8-14)10-11-6-2-3-7-12(11)13/h2-3,6-7H,4-5,8-10,14H2,1H3
InChIKeyJSACJANQZLBCSE-UHFFFAOYSA-N
XLogP1.33
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(2-fluorophenyl)methyl-methylsulfamoyl]butanoate
CID 61460454
N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutane-1-sulfonamide
CID 54939449
3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propane-1-sulfonamide
CID 43653867
4-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 43578997
6-amino-N-[(2-fluorophenyl)methyl]-N-methylhexanamide
CID 43579165
2,4-dibromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61060274
3-bromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937738
4-amino-N-[2-(2-fluorophenyl)ethyl]butane-1-sulfonamide
CID 54952610
4-bromo-2,6-dichloro-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 30329132
3-fluoro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-sulfonamide
CID 103299462
2-amino-5-bromo-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 62158319
N-[(2-fluorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103305406

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-fluorophenyl)methyl]-N-methylbutane-1-sulfonamide?
The IUPAC name of 4-amino-N-[(2-fluorophenyl)methyl]-N-methylbutane-1-sulfonamide (CID 54952198) is 4-amino-N-[(2-fluorophenyl)methyl]-N-methylbutane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-[(2-fluorophenyl)methyl]-N-methylbutane-1-sulfonamide?
The canonical SMILES for 4-amino-N-[(2-fluorophenyl)methyl]-N-methylbutane-1-sulfonamide is CN(Cc1ccccc1F)S(=O)(=O)CCCCN.
What is the InChIKey of 4-amino-N-[(2-fluorophenyl)methyl]-N-methylbutane-1-sulfonamide?
The InChIKey is JSACJANQZLBCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2S/c1-15(18(16,17)9-5-4-8-14)10-11-6-2-3-7-12(11)13/h2-3,6-7H,4-5,8-10,14H2,1H3.
What are the key properties of 4-amino-N-[(2-fluorophenyl)methyl]-N-methylbutane-1-sulfonamide?
4-amino-N-[(2-fluorophenyl)methyl]-N-methylbutane-1-sulfonamide has a molecular weight of 274.36 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-fluorophenyl)methyl]-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 54952198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).