4-fluoro-3-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide

C15H23FN2O2S — CID 106089946

IUPAC4-fluoro-3-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)NCC2CCC(C)C2)ccc1F
InChIInChI=1S/C15H23FN2O2S/c1-11-3-4-12(7-11)9-18-21(19,20)14-5-6-15(16)13(8-14)10-17-2/h5-6,8,11-12,17-18H,3-4,7,9-10H2,1-2H3
InChIKeyFBUAYPLVWFMGFU-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.26
Rot. Bonds6

About 4-fluoro-3-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide

4-fluoro-3-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide (PubChem CID 106089946) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-fluoro-3-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
PubChem CID106089946
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name4-fluoro-3-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)NCC2CCC(C)C2)ccc1F
InChIInChI=1S/C15H23FN2O2S/c1-11-3-4-12(7-11)9-18-21(19,20)14-5-6-15(16)13(8-14)10-17-2/h5-6,8,11-12,17-18H,3-4,7,9-10H2,1-2H3
InChIKeyFBUAYPLVWFMGFU-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

4-fluoro-3-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 106063003
5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106089898
1-methyl-5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]pyrrole-3-sulfonamide
CID 106089956
3-(aminomethyl)-4-methoxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106089862
3-amino-4-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411115
4-(bromomethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107414936
N-(cyclobutylmethyl)-3-[(cyclopropylamino)methyl]-4-fluorobenzenesulfonamide
CID 106024971
N-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422504
3-amino-4-hydroxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411156
N-[2-(dimethylamino)ethyl]-4-fluoro-3-(methylaminomethyl)benzenesulfonamide
CID 106032493
3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270285
3-bromo-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide
CID 163393416

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide (CID 106089946) is 4-fluoro-3-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide is CNCc1cc(S(=O)(=O)NCC2CCC(C)C2)ccc1F.
What is the InChIKey of 4-fluoro-3-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
The InChIKey is FBUAYPLVWFMGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-11-3-4-12(7-11)9-18-21(19,20)14-5-6-15(16)13(8-14)10-17-2/h5-6,8,11-12,17-18H,3-4,7,9-10H2,1-2H3.
What are the key properties of 4-fluoro-3-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
4-fluoro-3-(methylaminomethyl)-N-[(3-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 4-fluoro-3-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 106089946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).