4-(aminomethyl)-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide

C15H17FN2O2S — CID 106996652

IUPAC4-(aminomethyl)-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(F)c(NS(=O)(=O)c2ccc(CN)cc2C)c1
InChIInChI=1S/C15H17FN2O2S/c1-10-3-5-13(16)14(7-10)18-21(19,20)15-6-4-12(9-17)8-11(15)2/h3-8,18H,9,17H2,1-2H3
InChIKeyGQSAMLMDNZGZTC-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.70
Rot. Bonds4

About 4-(aminomethyl)-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide

4-(aminomethyl)-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide (PubChem CID 106996652) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
PubChem CID106996652
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name4-(aminomethyl)-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(F)c(NS(=O)(=O)c2ccc(CN)cc2C)c1
InChIInChI=1S/C15H17FN2O2S/c1-10-3-5-13(16)14(7-10)18-21(19,20)15-6-4-12(9-17)8-11(15)2/h3-8,18H,9,17H2,1-2H3
InChIKeyGQSAMLMDNZGZTC-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

4-(aminomethyl)-N-(2-fluorophenyl)-2-methylbenzenesulfonamide
CID 106996572
2-chloro-N-(2-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 32673947
5-(aminomethyl)-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide
CID 28717455
5-(aminomethyl)-N-(5-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 28716515
2,4-dimethyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 8500544
N-(2-fluoro-5-nitrophenyl)-2,4-dimethylbenzenesulfonamide
CID 22774503
4-ethyl-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 7516558
5-bromo-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 8514846
4-amino-2-bromo-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 43256663
4-chloro-N-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide
CID 47308842
N-(5-amino-2-fluorophenyl)-4-chloro-2-methylbenzenesulfonamide
CID 43604953
N-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 8514842

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide (CID 106996652) is 4-(aminomethyl)-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide is Cc1ccc(F)c(NS(=O)(=O)c2ccc(CN)cc2C)c1.
What is the InChIKey of 4-(aminomethyl)-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide?
The InChIKey is GQSAMLMDNZGZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-10-3-5-13(16)14(7-10)18-21(19,20)15-6-4-12(9-17)8-11(15)2/h3-8,18H,9,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide?
4-(aminomethyl)-N-(2-fluoro-5-methylphenyl)-2-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 4-(aminomethyl)-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 106996652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).