3-(aminomethyl)-N-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide

C15H17FN2O2S — CID 28716951

IUPAC3-(aminomethyl)-N-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(F)c(CN)c2)c1
InChIInChI=1S/C15H17FN2O2S/c1-10-5-11(2)7-13(6-10)18-21(19,20)14-3-4-15(16)12(8-14)9-17/h3-8,18H,9,17H2,1-2H3
InChIKeyPHXUKMDTDDBJLY-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.70
Rot. Bonds4

About 3-(aminomethyl)-N-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide

3-(aminomethyl)-N-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide (PubChem CID 28716951) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide
PubChem CID28716951
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name3-(aminomethyl)-N-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(F)c(CN)c2)c1
InChIInChI=1S/C15H17FN2O2S/c1-10-5-11(2)7-13(6-10)18-21(19,20)14-3-4-15(16)12(8-14)9-17/h3-8,18H,9,17H2,1-2H3
InChIKeyPHXUKMDTDDBJLY-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)-4-fluoro-N-(4-iodophenyl)benzenesulfonamide
CID 106029558
3-(aminomethyl)-N-(3-bromophenyl)-4-fluorobenzenesulfonamide
CID 106061491
3-(aminomethyl)-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 107482637
3-(aminomethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63287982
3-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 63287880
3-(aminomethyl)-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106060889
3-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 28717015
3-amino-N-(3-bromo-5-methylphenyl)-4-fluorobenzenesulfonamide
CID 107581716
3-(aminomethyl)-N-cyclopentyl-4-fluorobenzenesulfonamide
CID 28716664
3-(aminomethyl)-4-fluoro-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 55172499

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide (CID 28716951) is 3-(aminomethyl)-N-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide is Cc1cc(C)cc(NS(=O)(=O)c2ccc(F)c(CN)c2)c1.
What is the InChIKey of 3-(aminomethyl)-N-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide?
The InChIKey is PHXUKMDTDDBJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-10-5-11(2)7-13(6-10)18-21(19,20)14-3-4-15(16)12(8-14)9-17/h3-8,18H,9,17H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide?
3-(aminomethyl)-N-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide 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-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 28716951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).