4-amino-N-[2-(2-fluorophenyl)ethyl]butane-1-sulfonamide

C12H19FN2O2S — CID 54952610

IUPAC4-amino-N-[2-(2-fluorophenyl)ethyl]butane-1-sulfonamide
SMILESNCCCCS(=O)(=O)NCCc1ccccc1F
InChIInChI=1S/C12H19FN2O2S/c13-12-6-2-1-5-11(12)7-9-15-18(16,17)10-4-3-8-14/h1-2,5-6,15H,3-4,7-10,14H2
InChIKeyWXRLOMBWEXBPHZ-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.03
Rot. Bonds8

About 4-amino-N-[2-(2-fluorophenyl)ethyl]butane-1-sulfonamide

4-amino-N-[2-(2-fluorophenyl)ethyl]butane-1-sulfonamide (PubChem CID 54952610) has the molecular formula C12H19FN2O2S and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-amino-N-[2-(2-fluorophenyl)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(2-fluorophenyl)ethyl]butane-1-sulfonamide
PubChem CID54952610
Molecular FormulaC12H19FN2O2S
Molecular Weight274.36 g/mol
Exact Mass274.12
IUPAC Name4-amino-N-[2-(2-fluorophenyl)ethyl]butane-1-sulfonamide
SMILESNCCCCS(=O)(=O)NCCc1ccccc1F
InChIInChI=1S/C12H19FN2O2S/c13-12-6-2-1-5-11(12)7-9-15-18(16,17)10-4-3-8-14/h1-2,5-6,15H,3-4,7-10,14H2
InChIKeyWXRLOMBWEXBPHZ-UHFFFAOYSA-N
XLogP1.03
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(2-fluorophenyl)ethyl]ethanesulfonamide
CID 107650619
4-[2-(2-fluorophenyl)ethylsulfamoyl]butanoic acid
CID 28513594
N-[2-(2-fluorophenyl)ethyl]-2-(2-methoxyethoxy)ethanesulfonamide
CID 110411117
5-amino-N-[2-[3-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]pentane-1-sulfonamide
CID 134543447
4-amino-N-[(2-methylphenyl)methyl]butane-1-sulfonamide
CID 54952252
3-amino-N-[2-(3-fluorophenyl)ethyl]propane-1-sulfonamide
CID 54944387
1-[2-(dimethylsulfamoylamino)ethyl]-2-fluorobenzene
CID 35310058
4-amino-N-(2-phenoxyethyl)butane-1-sulfonamide
CID 55017062
4-amino-N-[2-(3-methylphenyl)ethyl]butane-1-sulfonamide
CID 62313210
3-amino-N-[2-(3,5-difluorophenyl)ethyl]propane-1-sulfonamide
CID 62615783
3-[2-(2-fluorophenyl)ethylamino]propane-1-sulfonic acid
CID 58691927
2-(2-fluorophenyl)-N-(3-phenylbutyl)ethanesulfonamide
CID 110356377

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-fluorophenyl)ethyl]butane-1-sulfonamide?
The IUPAC name of 4-amino-N-[2-(2-fluorophenyl)ethyl]butane-1-sulfonamide (CID 54952610) is 4-amino-N-[2-(2-fluorophenyl)ethyl]butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-[2-(2-fluorophenyl)ethyl]butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-[2-(2-fluorophenyl)ethyl]butane-1-sulfonamide is NCCCCS(=O)(=O)NCCc1ccccc1F.
What is the InChIKey of 4-amino-N-[2-(2-fluorophenyl)ethyl]butane-1-sulfonamide?
The InChIKey is WXRLOMBWEXBPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2S/c13-12-6-2-1-5-11(12)7-9-15-18(16,17)10-4-3-8-14/h1-2,5-6,15H,3-4,7-10,14H2.
What are the key properties of 4-amino-N-[2-(2-fluorophenyl)ethyl]butane-1-sulfonamide?
4-amino-N-[2-(2-fluorophenyl)ethyl]butane-1-sulfonamide has a molecular weight of 274.36 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2-fluorophenyl)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 54952610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).