1-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)methanesulfonamide

C14H15FN2O2S — CID 29291585

IUPAC1-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)methanesulfonamide
SMILESNCc1ccc(CS(=O)(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C14H15FN2O2S/c15-13-3-1-2-4-14(13)17-20(18,19)10-12-7-5-11(9-16)6-8-12/h1-8,17H,9-10,16H2
InChIKeyABOUJQZFCJVQQO-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.23
Rot. Bonds5

About 1-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)methanesulfonamide

1-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)methanesulfonamide (PubChem CID 29291585) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)methanesulfonamide
PubChem CID29291585
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name1-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)methanesulfonamide
SMILESNCc1ccc(CS(=O)(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C14H15FN2O2S/c15-13-3-1-2-4-14(13)17-20(18,19)10-12-7-5-11(9-16)6-8-12/h1-8,17H,9-10,16H2
InChIKeyABOUJQZFCJVQQO-UHFFFAOYSA-N
XLogP2.23
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-1-phenylmethanesulfonamide
CID 669256
1-(4-cyanophenyl)-N-(2-fluorophenyl)methanesulfonamide
CID 29298688
1-[4-(aminomethyl)phenyl]-N-(2-bromophenyl)methanesulfonamide
CID 106061234
1-[4-(aminomethyl)phenyl]-N-(2-fluoro-4-methylphenyl)methanesulfonamide
CID 28892351
1-[4-(aminomethyl)phenyl]-N-(2,4-dichlorophenyl)methanesulfonamide
CID 106057447
4-(aminomethyl)-N-(2-fluorophenyl)-2-methylbenzenesulfonamide
CID 106996572
N-(2-fluorophenyl)propane-1-sulfonamide
CID 60640812
1-amino-N-[4-(aminomethyl)-2-fluorophenyl]methanesulfonamide
CID 67318256
1-[4-(aminomethyl)phenyl]-N-(3-fluoro-4-methylphenyl)methanesulfonamide
CID 29034630
1-(4-chlorophenyl)-N-(2-methylsulfanylphenyl)methanesulfonamide
CID 18891408
1-[3-(aminomethyl)phenyl]-N-(2-chloro-6-fluorophenyl)methanesulfonamide
CID 106083603
1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-fluorophenyl)methanesulfonamide
CID 106087470

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)methanesulfonamide?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)methanesulfonamide (CID 29291585) is 1-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)methanesulfonamide.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)methanesulfonamide?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)methanesulfonamide is NCc1ccc(CS(=O)(=O)Nc2ccccc2F)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)methanesulfonamide?
The InChIKey is ABOUJQZFCJVQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c15-13-3-1-2-4-14(13)17-20(18,19)10-12-7-5-11(9-16)6-8-12/h1-8,17H,9-10,16H2.
What are the key properties of 1-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)methanesulfonamide?
1-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)methanesulfonamide has a molecular weight of 294.35 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 29291585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).