5-fluoro-N-(2-methoxycyclopentyl)-2-(methylaminomethyl)benzenesulfonamide

C14H21FN2O3S — CID 102920705

IUPAC5-fluoro-N-(2-methoxycyclopentyl)-2-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(F)cc1S(=O)(=O)NC1CCCC1OC
InChIInChI=1S/C14H21FN2O3S/c1-16-9-10-6-7-11(15)8-14(10)21(18,19)17-12-4-3-5-13(12)20-2/h6-8,12-13,16-17H,3-5,9H2,1-2H3
InChIKeyALSMHJLQSVSGSY-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.39
Rot. Bonds6

About 5-fluoro-N-(2-methoxycyclopentyl)-2-(methylaminomethyl)benzenesulfonamide

5-fluoro-N-(2-methoxycyclopentyl)-2-(methylaminomethyl)benzenesulfonamide (PubChem CID 102920705) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is 5-fluoro-N-(2-methoxycyclopentyl)-2-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N-(2-methoxycyclopentyl)-2-(methylaminomethyl)benzenesulfonamide
PubChem CID102920705
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Name5-fluoro-N-(2-methoxycyclopentyl)-2-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(F)cc1S(=O)(=O)NC1CCCC1OC
InChIInChI=1S/C14H21FN2O3S/c1-16-9-10-6-7-11(15)8-14(10)21(18,19)17-12-4-3-5-13(12)20-2/h6-8,12-13,16-17H,3-5,9H2,1-2H3
InChIKeyALSMHJLQSVSGSY-UHFFFAOYSA-N
XLogP1.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 106072803
5-fluoro-2-(methylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 102920876
2-(aminomethyl)-5-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106064241
5-fluoro-2-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 106088324
3-fluoro-4-[(2-methoxycyclopentyl)sulfamoyl]benzoic acid
CID 79177880
5-fluoro-2-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071622
2-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-5-fluorobenzenesulfonamide
CID 106060261
5-fluoro-N-[(1-methoxycyclobutyl)methyl]-2-(methylaminomethyl)benzenesulfonamide
CID 106090970
N-(cyclobutylmethyl)-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide
CID 102920747
N-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-amine
CID 62223825
5-fluoro-2-(methylaminomethyl)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 102920994
N-cyclohexyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 102920439

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-methoxycyclopentyl)-2-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of 5-fluoro-N-(2-methoxycyclopentyl)-2-(methylaminomethyl)benzenesulfonamide (CID 102920705) is 5-fluoro-N-(2-methoxycyclopentyl)-2-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-N-(2-methoxycyclopentyl)-2-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-N-(2-methoxycyclopentyl)-2-(methylaminomethyl)benzenesulfonamide is CNCc1ccc(F)cc1S(=O)(=O)NC1CCCC1OC.
What is the InChIKey of 5-fluoro-N-(2-methoxycyclopentyl)-2-(methylaminomethyl)benzenesulfonamide?
The InChIKey is ALSMHJLQSVSGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-16-9-10-6-7-11(15)8-14(10)21(18,19)17-12-4-3-5-13(12)20-2/h6-8,12-13,16-17H,3-5,9H2,1-2H3.
What are the key properties of 5-fluoro-N-(2-methoxycyclopentyl)-2-(methylaminomethyl)benzenesulfonamide?
5-fluoro-N-(2-methoxycyclopentyl)-2-(methylaminomethyl)benzenesulfonamide has a molecular weight of 316.40 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-methoxycyclopentyl)-2-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 102920705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).