4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide

C14H16N2O2S — CID 16643195

IUPAC4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CN)cc2)cc1
InChIInChI=1S/C14H16N2O2S/c1-11-2-6-13(7-3-11)16-19(17,18)14-8-4-12(10-15)5-9-14/h2-9,16H,10,15H2,1H3
InChIKeyOSTASZXBUJVJPO-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.25
Rot. Bonds4

About 4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide

4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 16643195) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide
PubChem CID16643195
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CN)cc2)cc1
InChIInChI=1S/C14H16N2O2S/c1-11-2-6-13(7-3-11)16-19(17,18)14-8-4-12(10-15)5-9-14/h2-9,16H,10,15H2,1H3
InChIKeyOSTASZXBUJVJPO-UHFFFAOYSA-N
XLogP2.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 65481186
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide
CID 112982191
N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 60919101
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68689392
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
N-[4-(aminomethyl)-2-methoxyphenyl]-4-methylbenzenesulfonamide
CID 104847775
2-(4-acetamidophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55377318
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-methyl-N-[4-(2-methylpropylamino)phenyl]benzenesulfonamide
CID 112980396
ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoate
CID 102487727

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide (CID 16643195) is 4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(CN)cc2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is OSTASZXBUJVJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-11-2-6-13(7-3-11)16-19(17,18)14-8-4-12(10-15)5-9-14/h2-9,16H,10,15H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide?
4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 276.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 16643195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).