3-(aminomethyl)-N-(3-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide

C15H17FN2O2S — CID 106070501

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

About 3-(aminomethyl)-N-(3-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide

3-(aminomethyl)-N-(3-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide (PubChem CID 106070501) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
PubChem CID106070501
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name3-(aminomethyl)-N-(3-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1cc(F)cc(NS(=O)(=O)c2ccc(C)c(CN)c2)c1
InChIInChI=1S/C15H17FN2O2S/c1-10-5-13(16)8-14(6-10)18-21(19,20)15-4-3-11(2)12(7-15)9-17/h3-8,18H,9,17H2,1-2H3
InChIKeyUSOZEOBOVMEWAB-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-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide
CID 28716951
3-(aminomethyl)-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 107482637
3-(aminomethyl)-N-(4-ethylphenyl)-4-methylbenzenesulfonamide
CID 107236787
3-(aminomethyl)-N-(3-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 106064431
4-bromo-N-(3,5-difluorophenyl)-3-methylbenzenesulfonamide
CID 35940070
3-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide
CID 47309744
4-(1-aminoethyl)-N-(3-fluoro-5-methylphenyl)benzenesulfonamide
CID 79044635
4-[(3-fluoro-5-methylphenyl)sulfamoyl]benzenecarbothioamide
CID 79044434
3-(aminomethyl)-N-(3-bromo-2-methylphenyl)-4-methylbenzenesulfonamide
CID 106088180
4-[(3-fluoro-5-methylphenyl)sulfamoyl]benzoic acid
CID 79041528
N-[4-[(3-fluoro-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 97030412
3-(aminomethyl)-N-(2-chlorophenyl)-4-methylbenzenesulfonamide
CID 106061930

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(3-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide (CID 106070501) is 3-(aminomethyl)-N-(3-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(3-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(3-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide is Cc1cc(F)cc(NS(=O)(=O)c2ccc(C)c(CN)c2)c1.
What is the InChIKey of 3-(aminomethyl)-N-(3-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is USOZEOBOVMEWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-10-5-13(16)8-14(6-10)18-21(19,20)15-4-3-11(2)12(7-15)9-17/h3-8,18H,9,17H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-(3-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide?
3-(aminomethyl)-N-(3-fluoro-5-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-5-methylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 106070501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).