3-(aminomethyl)-N-(4-ethylphenyl)-4-methylbenzenesulfonamide

C16H20N2O2S — CID 107236787

IUPAC3-(aminomethyl)-N-(4-ethylphenyl)-4-methylbenzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc(C)c(CN)c2)cc1
InChIInChI=1S/C16H20N2O2S/c1-3-13-5-7-15(8-6-13)18-21(19,20)16-9-4-12(2)14(10-16)11-17/h4-10,18H,3,11,17H2,1-2H3
InChIKeyFUMXIFZHYNNPEE-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.82
Rot. Bonds5

About 3-(aminomethyl)-N-(4-ethylphenyl)-4-methylbenzenesulfonamide

3-(aminomethyl)-N-(4-ethylphenyl)-4-methylbenzenesulfonamide (PubChem CID 107236787) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(4-ethylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(4-ethylphenyl)-4-methylbenzenesulfonamide
PubChem CID107236787
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-(aminomethyl)-N-(4-ethylphenyl)-4-methylbenzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc(C)c(CN)c2)cc1
InChIInChI=1S/C16H20N2O2S/c1-3-13-5-7-15(8-6-13)18-21(19,20)16-9-4-12(2)14(10-16)11-17/h4-10,18H,3,11,17H2,1-2H3
InChIKeyFUMXIFZHYNNPEE-UHFFFAOYSA-N
XLogP2.82
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 107482637
3-(aminomethyl)-N-(3-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 106070501
3-N-(4-ethylphenyl)benzene-1,3-disulfonamide
CID 31065784
4-ethyl-N-(4-iodophenyl)benzenesulfonamide
CID 1305687
5-[(4-ethylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide
CID 8519772
N-(4-ethylphenyl)-3-[3-[(4-ethylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 160503977
5-amino-N-(4-ethylphenyl)-2-methylbenzenesulfonamide
CID 29285974
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 16643195
3-(aminomethyl)-N-(2-chlorophenyl)-4-methylbenzenesulfonamide
CID 106061930
4-amino-N-(4-ethylphenyl)-3-methoxybenzenesulfonamide
CID 81441768
3-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 106023385

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(4-ethylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(4-ethylphenyl)-4-methylbenzenesulfonamide (CID 107236787) is 3-(aminomethyl)-N-(4-ethylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(4-ethylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(4-ethylphenyl)-4-methylbenzenesulfonamide is CCc1ccc(NS(=O)(=O)c2ccc(C)c(CN)c2)cc1.
What is the InChIKey of 3-(aminomethyl)-N-(4-ethylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is FUMXIFZHYNNPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-13-5-7-15(8-6-13)18-21(19,20)16-9-4-12(2)14(10-16)11-17/h4-10,18H,3,11,17H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-(4-ethylphenyl)-4-methylbenzenesulfonamide?
3-(aminomethyl)-N-(4-ethylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(4-ethylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 107236787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).