4-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide

C15H17FN2O2S — CID 43578997

IUPAC4-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1F)S(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C15H17FN2O2S/c1-18(11-13-4-2-3-5-15(13)16)21(19,20)14-8-6-12(10-17)7-9-14/h2-9H,10-11,17H2,1H3
InChIKeyZKONOMYPZBDYRV-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.11
Rot. Bonds5

About 4-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide

4-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide (PubChem CID 43578997) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
PubChem CID43578997
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name4-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1F)S(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C15H17FN2O2S/c1-18(11-13-4-2-3-5-15(13)16)21(19,20)14-8-6-12(10-17)7-9-14/h2-9H,10-11,17H2,1H3
InChIKeyZKONOMYPZBDYRV-UHFFFAOYSA-N
XLogP2.11
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 60923004
3-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937737
3-bromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937738
6-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 31391554
N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 47267533
3-bromo-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 30329135
N-[(2-fluorophenyl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 31391555
4-amino-N-[(2-fluorophenyl)methyl]-N-methylbutane-1-sulfonamide
CID 54952198
4-(aminomethyl)-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43272087
3-fluoro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-sulfonamide
CID 103299462
4-bromo-2,6-dichloro-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 30329132
4-N-methyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-disulfonamide
CID 17410036

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide (CID 43578997) is 4-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide is CN(Cc1ccccc1F)S(=O)(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is ZKONOMYPZBDYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-18(11-13-4-2-3-5-15(13)16)21(19,20)14-8-6-12(10-17)7-9-14/h2-9H,10-11,17H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide?
4-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 43578997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).