5-fluoro-2-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide

C15H23FN2O2S — CID 106088324

IUPAC5-fluoro-2-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCNCc1ccc(F)cc1S(=O)(=O)NCC1CCCC1C
InChIInChI=1S/C15H23FN2O2S/c1-11-4-3-5-12(11)10-18-21(19,20)15-8-14(16)7-6-13(15)9-17-2/h6-8,11-12,17-18H,3-5,9-10H2,1-2H3
InChIKeyPNAVRZFHEKZGRE-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.26
Rot. Bonds6

About 5-fluoro-2-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide

5-fluoro-2-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide (PubChem CID 106088324) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 5-fluoro-2-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
PubChem CID106088324
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name5-fluoro-2-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCNCc1ccc(F)cc1S(=O)(=O)NCC1CCCC1C
InChIInChI=1S/C15H23FN2O2S/c1-11-4-3-5-12(11)10-18-21(19,20)15-8-14(16)7-6-13(15)9-17-2/h6-8,11-12,17-18H,3-5,9-10H2,1-2H3
InChIKeyPNAVRZFHEKZGRE-UHFFFAOYSA-N
XLogP2.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-(methylaminomethyl)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 102920994
5-fluoro-2-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071622
5-fluoro-2-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 106094809
2-bromo-4-fluoro-N-[(2-methylcyclohexyl)methyl]benzenesulfonamide
CID 63420657
2-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106088333
5-fluoro-N-(2-methoxycyclopentyl)-2-(methylaminomethyl)benzenesulfonamide
CID 102920705
3-amino-2,4-difluoro-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 107416435
5-fluoro-N-[(1-methoxycyclobutyl)methyl]-2-(methylaminomethyl)benzenesulfonamide
CID 106090970
4-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]-1H-pyrazole-5-sulfonamide
CID 106088314
5-fluoro-2-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 102920739
N-(cyclobutylmethyl)-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide
CID 102920747
5-fluoro-2-(methylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 102920876

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 5-fluoro-2-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide (CID 106088324) is 5-fluoro-2-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide is CNCc1ccc(F)cc1S(=O)(=O)NCC1CCCC1C.
What is the InChIKey of 5-fluoro-2-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide?
The InChIKey is PNAVRZFHEKZGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-11-4-3-5-12(11)10-18-21(19,20)15-8-14(16)7-6-13(15)9-17-2/h6-8,11-12,17-18H,3-5,9-10H2,1-2H3.
What are the key properties of 5-fluoro-2-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide?
5-fluoro-2-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 106088324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).