4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide

C14H22FN3O2S — CID 106074086

IUPAC4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide
SMILESCC1CC(NS(=O)(=O)c2ccc(CN)cc2F)CCN1C
InChIInChI=1S/C14H22FN3O2S/c1-10-7-12(5-6-18(10)2)17-21(19,20)14-4-3-11(9-16)8-13(14)15/h3-4,8,10,12,17H,5-7,9,16H2,1-2H3
InChIKeyMNUVKANVQZNUJV-UHFFFAOYSA-N
MW315.41 g/mol
LogP1.05
Rot. Bonds4

About 4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide

4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide (PubChem CID 106074086) has the molecular formula C14H22FN3O2S and a molecular weight of 315.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide
PubChem CID106074086
Molecular FormulaC14H22FN3O2S
Molecular Weight315.41 g/mol
Exact Mass315.14
IUPAC Name4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide
SMILESCC1CC(NS(=O)(=O)c2ccc(CN)cc2F)CCN1C
InChIInChI=1S/C14H22FN3O2S/c1-10-7-12(5-6-18(10)2)17-21(19,20)14-4-3-11(9-16)8-13(14)15/h3-4,8,10,12,17H,5-7,9,16H2,1-2H3
InChIKeyMNUVKANVQZNUJV-UHFFFAOYSA-N
XLogP1.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide
CID 79190542
4-(aminomethyl)-N-cyclobutyl-2-fluorobenzenesulfonamide
CID 79190765
4-(aminomethyl)-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 106068638
4-(aminomethyl)-N-(2,3-dimethylcyclopentyl)-2-fluorobenzenesulfonamide
CID 106069126
4-bromo-N-(1,2-dimethylpiperidin-4-yl)-3-fluorobenzenesulfonamide
CID 103697791
4-(aminomethyl)-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 106052902
5-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide
CID 106074079
4-amino-N-(3,5-dimethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 64732843
N-(1,2-dimethylpiperidin-4-yl)benzenesulfonamide
CID 79032927
3-amino-5-bromo-N-(1,2-dimethylpiperidin-4-yl)-2-methylbenzenesulfonamide
CID 114379990
4-(aminomethyl)-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 106002905
5-(aminomethyl)-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 106025172

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide (CID 106074086) is 4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide is CC1CC(NS(=O)(=O)c2ccc(CN)cc2F)CCN1C.
What is the InChIKey of 4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide?
The InChIKey is MNUVKANVQZNUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2S/c1-10-7-12(5-6-18(10)2)17-21(19,20)14-4-3-11(9-16)8-13(14)15/h3-4,8,10,12,17H,5-7,9,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide?
4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide has a molecular weight of 315.41 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 106074086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).