2-fluoro-N-(2-methylpropoxy)benzenesulfonamide

C10H14FNO3S — CID 82715459

IUPAC2-fluoro-N-(2-methylpropoxy)benzenesulfonamide
SMILESCC(C)CONS(=O)(=O)c1ccccc1F
InChIInChI=1S/C10H14FNO3S/c1-8(2)7-15-12-16(13,14)10-6-4-3-5-9(10)11/h3-6,8,12H,7H2,1-2H3
InChIKeySSBDXVZHWVUAGN-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.69
Rot. Bonds5

About 2-fluoro-N-(2-methylpropoxy)benzenesulfonamide

2-fluoro-N-(2-methylpropoxy)benzenesulfonamide (PubChem CID 82715459) has the molecular formula C10H14FNO3S and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-fluoro-N-(2-methylpropoxy)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methylpropoxy)benzenesulfonamide
PubChem CID82715459
Molecular FormulaC10H14FNO3S
Molecular Weight247.29 g/mol
Exact Mass247.07
IUPAC Name2-fluoro-N-(2-methylpropoxy)benzenesulfonamide
SMILESCC(C)CONS(=O)(=O)c1ccccc1F
InChIInChI=1S/C10H14FNO3S/c1-8(2)7-15-12-16(13,14)10-6-4-3-5-9(10)11/h3-6,8,12H,7H2,1-2H3
InChIKeySSBDXVZHWVUAGN-UHFFFAOYSA-N
XLogP1.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(2-methylpropoxy)benzenesulfonamide
CID 82714903
3,4-difluoro-N-(2-methylpropoxy)benzenesulfonamide
CID 82715795
N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 64570507
2-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide
CID 115763664
(2S)-2-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 40608062
4-bromo-2-chloro-N-(2-methylpropoxy)benzenesulfonamide
CID 82714564
N-(1-amino-4-methylpentan-2-yl)-2-fluorobenzenesulfonamide;hydrochloride
CID 119983189
2-chloro-N-(2-methylpropoxy)-5-methylsulfonylbenzenesulfonamide
CID 82715577
N-(5-amino-4-methylpentyl)-2-fluorobenzenesulfonamide
CID 106154282
N-(2-methylpropoxy)pyridine-3-sulfonamide
CID 82715021
2,5-dibromo-4-methyl-N-(2-methylpropoxy)benzenesulfonamide
CID 82714913
N-(1-amino-2,3-dimethylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 115310559

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methylpropoxy)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(2-methylpropoxy)benzenesulfonamide (CID 82715459) is 2-fluoro-N-(2-methylpropoxy)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(2-methylpropoxy)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(2-methylpropoxy)benzenesulfonamide is CC(C)CONS(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2-methylpropoxy)benzenesulfonamide?
The InChIKey is SSBDXVZHWVUAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3S/c1-8(2)7-15-12-16(13,14)10-6-4-3-5-9(10)11/h3-6,8,12H,7H2,1-2H3.
What are the key properties of 2-fluoro-N-(2-methylpropoxy)benzenesulfonamide?
2-fluoro-N-(2-methylpropoxy)benzenesulfonamide has a molecular weight of 247.29 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methylpropoxy)benzenesulfonamide is sourced from PubChem (CID 82715459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).