4-fluoro-N-(3-methoxycyclobutyl)benzenesulfonamide

C11H14FNO3S — CID 104600641

IUPAC4-fluoro-N-(3-methoxycyclobutyl)benzenesulfonamide
SMILESCOC1CC(NS(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C11H14FNO3S/c1-16-10-6-9(7-10)13-17(14,15)11-4-2-8(12)3-5-11/h2-5,9-10,13H,6-7H2,1H3
InChIKeyKGDVJMKKDCCXQR-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.28
Rot. Bonds4

About 4-fluoro-N-(3-methoxycyclobutyl)benzenesulfonamide

4-fluoro-N-(3-methoxycyclobutyl)benzenesulfonamide (PubChem CID 104600641) has the molecular formula C11H14FNO3S and a molecular weight of 259.30 g/mol. Its IUPAC name is 4-fluoro-N-(3-methoxycyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(3-methoxycyclobutyl)benzenesulfonamide
PubChem CID104600641
Molecular FormulaC11H14FNO3S
Molecular Weight259.30 g/mol
Exact Mass259.07
IUPAC Name4-fluoro-N-(3-methoxycyclobutyl)benzenesulfonamide
SMILESCOC1CC(NS(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C11H14FNO3S/c1-16-10-6-9(7-10)13-17(14,15)11-4-2-8(12)3-5-11/h2-5,9-10,13H,6-7H2,1H3
InChIKeyKGDVJMKKDCCXQR-UHFFFAOYSA-N
XLogP1.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-methoxycyclobutyl)benzene-1,4-disulfonamide
CID 104600653
4-(cyanomethyl)-N-(3-methoxycyclobutyl)benzenesulfonamide
CID 104600613
4-amino-N-(3-methoxycyclobutyl)-3-methylbenzenesulfonamide
CID 114118595
4-(2-hydroxyethyl)-N-(3-methoxycyclopentyl)benzenesulfonamide
CID 106002176
N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 64749989
4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 2975212
2-fluoro-5-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid
CID 103091356
4-fluoro-N-[4-(propylamino)cyclohexyl]benzenesulfonamide
CID 43653616
4-bromo-N-(3-ethoxycyclobutyl)benzenesulfonamide
CID 102609509
2,5-dibromo-N-(3-methoxycyclobutyl)benzenesulfonamide
CID 113431371
4-fluoro-N-(1-methylsulfonylpyrrolidin-3-yl)benzenesulfonamide
CID 110871302
methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)benzoate
CID 119967795

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-methoxycyclobutyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(3-methoxycyclobutyl)benzenesulfonamide (CID 104600641) is 4-fluoro-N-(3-methoxycyclobutyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(3-methoxycyclobutyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(3-methoxycyclobutyl)benzenesulfonamide is COC1CC(NS(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 4-fluoro-N-(3-methoxycyclobutyl)benzenesulfonamide?
The InChIKey is KGDVJMKKDCCXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3S/c1-16-10-6-9(7-10)13-17(14,15)11-4-2-8(12)3-5-11/h2-5,9-10,13H,6-7H2,1H3.
What are the key properties of 4-fluoro-N-(3-methoxycyclobutyl)benzenesulfonamide?
4-fluoro-N-(3-methoxycyclobutyl)benzenesulfonamide has a molecular weight of 259.30 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-methoxycyclobutyl)benzenesulfonamide is sourced from PubChem (CID 104600641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).