N-(3-amino-4-methoxybutyl)-3-fluorobenzenesulfonamide

C11H17FN2O3S — CID 114163152

IUPACN-(3-amino-4-methoxybutyl)-3-fluorobenzenesulfonamide
SMILESCOCC(N)CCNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C11H17FN2O3S/c1-17-8-10(13)5-6-14-18(15,16)11-4-2-3-9(12)7-11/h2-4,7,10,14H,5-6,8,13H2,1H3
InChIKeyZBCDKQVLORYNAY-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.47
Rot. Bonds7

About N-(3-amino-4-methoxybutyl)-3-fluorobenzenesulfonamide

N-(3-amino-4-methoxybutyl)-3-fluorobenzenesulfonamide (PubChem CID 114163152) has the molecular formula C11H17FN2O3S and a molecular weight of 276.33 g/mol. Its IUPAC name is N-(3-amino-4-methoxybutyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxybutyl)-3-fluorobenzenesulfonamide
PubChem CID114163152
Molecular FormulaC11H17FN2O3S
Molecular Weight276.33 g/mol
Exact Mass276.09
IUPAC NameN-(3-amino-4-methoxybutyl)-3-fluorobenzenesulfonamide
SMILESCOCC(N)CCNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C11H17FN2O3S/c1-17-8-10(13)5-6-14-18(15,16)11-4-2-3-9(12)7-11/h2-4,7,10,14H,5-6,8,13H2,1H3
InChIKeyZBCDKQVLORYNAY-UHFFFAOYSA-N
XLogP0.47
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
3-fluoro-N-propylbenzenesulfonamide
CID 43212857
N-(2-ethoxyethyl)-3-fluorobenzenesulfonamide
CID 47304916
N-(2-aminobutyl)-3-fluorobenzenesulfonamide
CID 63731601
N-[2-(2-aminoethoxy)ethyl]-3-fluorobenzenesulfonamide
CID 55243530
N-(3-amino-4-methoxybutyl)-3-fluorobenzamide
CID 106243471
3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
CID 103887495
3-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697449
N-(3-amino-4-methoxybutyl)-2,4-dimethylbenzenesulfonamide
CID 106243978
N-(cyanomethyl)-3-fluorobenzenesulfonamide
CID 60707704
N-[2-(3,5-dimethylphenoxy)ethyl]-3-fluorobenzenesulfonamide
CID 30365901
4-[(3-amino-4-methoxybutyl)amino]-N-ethylbenzenesulfonamide
CID 106244328

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxybutyl)-3-fluorobenzenesulfonamide?
The IUPAC name of N-(3-amino-4-methoxybutyl)-3-fluorobenzenesulfonamide (CID 114163152) is N-(3-amino-4-methoxybutyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-amino-4-methoxybutyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-amino-4-methoxybutyl)-3-fluorobenzenesulfonamide is COCC(N)CCNS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-(3-amino-4-methoxybutyl)-3-fluorobenzenesulfonamide?
The InChIKey is ZBCDKQVLORYNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O3S/c1-17-8-10(13)5-6-14-18(15,16)11-4-2-3-9(12)7-11/h2-4,7,10,14H,5-6,8,13H2,1H3.
What are the key properties of N-(3-amino-4-methoxybutyl)-3-fluorobenzenesulfonamide?
N-(3-amino-4-methoxybutyl)-3-fluorobenzenesulfonamide has a molecular weight of 276.33 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxybutyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 114163152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).