4-(aminomethyl)-N-(2-fluorophenyl)-2-methylbenzenesulfonamide

C14H15FN2O2S — CID 106996572

IUPAC4-(aminomethyl)-N-(2-fluorophenyl)-2-methylbenzenesulfonamide
SMILESCc1cc(CN)ccc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C14H15FN2O2S/c1-10-8-11(9-16)6-7-14(10)20(18,19)17-13-5-3-2-4-12(13)15/h2-8,17H,9,16H2,1H3
InChIKeyNFZJHSKNKPYHRS-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.39
Rot. Bonds4

About 4-(aminomethyl)-N-(2-fluorophenyl)-2-methylbenzenesulfonamide

4-(aminomethyl)-N-(2-fluorophenyl)-2-methylbenzenesulfonamide (PubChem CID 106996572) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-fluorophenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-fluorophenyl)-2-methylbenzenesulfonamide
PubChem CID106996572
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name4-(aminomethyl)-N-(2-fluorophenyl)-2-methylbenzenesulfonamide
SMILESCc1cc(CN)ccc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C14H15FN2O2S/c1-10-8-11(9-16)6-7-14(10)20(18,19)17-13-5-3-2-4-12(13)15/h2-8,17H,9,16H2,1H3
InChIKeyNFZJHSKNKPYHRS-UHFFFAOYSA-N
XLogP2.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 106996652
4-(aminomethyl)-2-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 106996553
4-(aminomethyl)-N-(3-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 106088177
4-(aminomethyl)-2-bromo-N-(3-bromo-2-methylphenyl)benzenesulfonamide
CID 106088126
5-(aminomethyl)-N-(5-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 28716515
N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 2236619
5-(aminomethyl)-N-(2,3-dimethylphenyl)-2-methylbenzenesulfonamide
CID 28717477
N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 17377370
1-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)methanesulfonamide
CID 29291585
5-(aminomethyl)-N-(2-chlorophenyl)-2,3-dimethylbenzenesulfonamide
CID 106061933
4-(aminomethyl)-N-(2-chloro-6-methylphenyl)-2-fluorobenzenesulfonamide
CID 106070701
4-(aminomethyl)-2-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 106997067

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-fluorophenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2-fluorophenyl)-2-methylbenzenesulfonamide (CID 106996572) is 4-(aminomethyl)-N-(2-fluorophenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-fluorophenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-fluorophenyl)-2-methylbenzenesulfonamide is Cc1cc(CN)ccc1S(=O)(=O)Nc1ccccc1F.
What is the InChIKey of 4-(aminomethyl)-N-(2-fluorophenyl)-2-methylbenzenesulfonamide?
The InChIKey is NFZJHSKNKPYHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-10-8-11(9-16)6-7-14(10)20(18,19)17-13-5-3-2-4-12(13)15/h2-8,17H,9,16H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(2-fluorophenyl)-2-methylbenzenesulfonamide?
4-(aminomethyl)-N-(2-fluorophenyl)-2-methylbenzenesulfonamide has a molecular weight of 294.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-fluorophenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 106996572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).