3-(aminomethyl)-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide

C15H17FN2O2S — CID 107482637

IUPAC3-(aminomethyl)-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(CN)c2)cc1F
InChIInChI=1S/C15H17FN2O2S/c1-10-4-6-14(7-12(10)9-17)21(19,20)18-13-5-3-11(2)15(16)8-13/h3-8,18H,9,17H2,1-2H3
InChIKeyLLHHTJXBHRWHDZ-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.70
Rot. Bonds4

About 3-(aminomethyl)-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide

3-(aminomethyl)-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide (PubChem CID 107482637) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
PubChem CID107482637
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name3-(aminomethyl)-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(CN)c2)cc1F
InChIInChI=1S/C15H17FN2O2S/c1-10-4-6-14(7-12(10)9-17)21(19,20)18-13-5-3-11(2)15(16)8-13/h3-8,18H,9,17H2,1-2H3
InChIKeyLLHHTJXBHRWHDZ-UHFFFAOYSA-N
XLogP2.70
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(3-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 106070501
3-(aminomethyl)-N-(3-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 106064431
3-(aminomethyl)-N-(4-ethylphenyl)-4-methylbenzenesulfonamide
CID 107236787
3-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298458
4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 7939142
4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 97162019
3-(aminomethyl)-N-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide
CID 28716951
N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 22773464
3-fluoro-4-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 60532718
3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 28536732
3-(aminomethyl)-4-fluoro-N-(4-iodophenyl)benzenesulfonamide
CID 106029558
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 2121784

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide (CID 107482637) is 3-(aminomethyl)-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(C)c(CN)c2)cc1F.
What is the InChIKey of 3-(aminomethyl)-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is LLHHTJXBHRWHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-10-4-6-14(7-12(10)9-17)21(19,20)18-13-5-3-11(2)15(16)8-13/h3-8,18H,9,17H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide?
3-(aminomethyl)-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 107482637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).