N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide

C15H18N2O2S — CID 60919101

IUPACN-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(CN)cc2)cc1
InChIInChI=1S/C15H18N2O2S/c1-12-2-8-15(9-3-12)20(18,19)17-11-14-6-4-13(10-16)5-7-14/h2-9,17H,10-11,16H2,1H3
InChIKeyQCYXZYCWZLQXTK-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.93
Rot. Bonds5

About N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide

N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide (PubChem CID 60919101) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide
PubChem CID60919101
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(CN)cc2)cc1
InChIInChI=1S/C15H18N2O2S/c1-12-2-8-15(9-3-12)20(18,19)17-11-14-6-4-13(10-16)5-7-14/h2-9,17H,10-11,16H2,1H3
InChIKeyQCYXZYCWZLQXTK-UHFFFAOYSA-N
XLogP1.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide;2,2,2-trifluoroacetic acid
CID 70094597
N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide
CID 3370668
N-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide
CID 81089757
4-(aminomethyl)-N-benzylbenzenesulfonamide;hydrochloride
CID 22051273
4-(1-aminoethyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 43097507
4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 63008707
4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 16643195
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylbenzenesulfonamide
CID 63359101
N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide
CID 669174
4-hexyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 84556939
[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl] acetate
CID 177425846
N-[[3-(chloromethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 65032501

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide (CID 60919101) is N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccc(CN)cc2)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is QCYXZYCWZLQXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-12-2-8-15(9-3-12)20(18,19)17-11-14-6-4-13(10-16)5-7-14/h2-9,17H,10-11,16H2,1H3.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide?
N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 60919101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).