N-[2-(aminomethyl)-3-methylphenyl]-4-fluorobenzenesulfonamide

C14H15FN2O2S — CID 107802338

IUPACN-[2-(aminomethyl)-3-methylphenyl]-4-fluorobenzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1CN
InChIInChI=1S/C14H15FN2O2S/c1-10-3-2-4-14(13(10)9-16)17-20(18,19)12-7-5-11(15)6-8-12/h2-8,17H,9,16H2,1H3
InChIKeyRFLJOGDZSZZVBY-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.39
Rot. Bonds4

About N-[2-(aminomethyl)-3-methylphenyl]-4-fluorobenzenesulfonamide

N-[2-(aminomethyl)-3-methylphenyl]-4-fluorobenzenesulfonamide (PubChem CID 107802338) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[2-(aminomethyl)-3-methylphenyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-3-methylphenyl]-4-fluorobenzenesulfonamide
PubChem CID107802338
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC NameN-[2-(aminomethyl)-3-methylphenyl]-4-fluorobenzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1CN
InChIInChI=1S/C14H15FN2O2S/c1-10-3-2-4-14(13(10)9-16)17-20(18,19)12-7-5-11(15)6-8-12/h2-8,17H,9,16H2,1H3
InChIKeyRFLJOGDZSZZVBY-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

N-[2-(aminomethyl)-3-methylphenyl]-3-methylbenzenesulfonamide
CID 107802273
N-[2-(aminomethyl)-3-fluorophenyl]-4-methoxybenzenesulfonamide
CID 43580855
N-[2-(aminomethyl)-3-methylphenyl]propane-2-sulfonamide
CID 107802285
2-(aminomethyl)-1-(dimethylsulfamoylamino)-3-methylbenzene
CID 107802276
N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 711089
4-fluoro-N-[2-(hydroxymethyl)-6-methylphenyl]benzenesulfonamide
CID 74224377
N-(2,3-dimethoxyphenyl)-4-fluorobenzenesulfonamide
CID 3576205
N-(4-amino-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 16774316
N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682
N-[6-(aminomethyl)-2-pyridinyl]-4-fluorobenzenesulfonamide
CID 82343421
N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 113046610
N-(2-bromophenyl)-4-fluorobenzenesulfonamide
CID 835592

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-3-methylphenyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(aminomethyl)-3-methylphenyl]-4-fluorobenzenesulfonamide (CID 107802338) is N-[2-(aminomethyl)-3-methylphenyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)-3-methylphenyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(aminomethyl)-3-methylphenyl]-4-fluorobenzenesulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1CN.
What is the InChIKey of N-[2-(aminomethyl)-3-methylphenyl]-4-fluorobenzenesulfonamide?
The InChIKey is RFLJOGDZSZZVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-10-3-2-4-14(13(10)9-16)17-20(18,19)12-7-5-11(15)6-8-12/h2-8,17H,9,16H2,1H3.
What are the key properties of N-[2-(aminomethyl)-3-methylphenyl]-4-fluorobenzenesulfonamide?
N-[2-(aminomethyl)-3-methylphenyl]-4-fluorobenzenesulfonamide 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 N-[2-(aminomethyl)-3-methylphenyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 107802338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).