3-amino-N-benzyl-4-ethyl-N-methylbenzenesulfonamide

C16H20N2O2S — CID 43257998

IUPAC3-amino-N-benzyl-4-ethyl-N-methylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1N
InChIInChI=1S/C16H20N2O2S/c1-3-14-9-10-15(11-16(14)17)21(19,20)18(2)12-13-7-5-4-6-8-13/h4-11H,3,12,17H2,1-2H3
InChIKeyOLAKJEFAKPCIFE-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.65
Rot. Bonds5

About 3-amino-N-benzyl-4-ethyl-N-methylbenzenesulfonamide

3-amino-N-benzyl-4-ethyl-N-methylbenzenesulfonamide (PubChem CID 43257998) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-amino-N-benzyl-4-ethyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-benzyl-4-ethyl-N-methylbenzenesulfonamide
PubChem CID43257998
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-amino-N-benzyl-4-ethyl-N-methylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1N
InChIInChI=1S/C16H20N2O2S/c1-3-14-9-10-15(11-16(14)17)21(19,20)18(2)12-13-7-5-4-6-8-13/h4-11H,3,12,17H2,1-2H3
InChIKeyOLAKJEFAKPCIFE-UHFFFAOYSA-N
XLogP2.65
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-N-benzyl-4-ethyl-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-3-ethyl-N-methylbenzenesulfonamide
CID 90124269
3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 43526678
5-amino-N-benzyl-2-ethyl-N-methylbenzenesulfonamide
CID 43256238
3-amino-4-ethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61426284
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043
3-amino-4-ethyl-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 43257148
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846883
3-amino-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 115328805
3-amino-4-ethyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63843263
methyl 2-[(3-amino-4-ethylphenyl)sulfonyl-methylamino]acetate
CID 43258543
3-amino-N-(cyclobutylmethyl)-4-ethyl-N-methylbenzenesulfonamide
CID 62860940
3-amino-N-[(3-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 61128007

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-4-ethyl-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-benzyl-4-ethyl-N-methylbenzenesulfonamide (CID 43257998) is 3-amino-N-benzyl-4-ethyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-benzyl-4-ethyl-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-benzyl-4-ethyl-N-methylbenzenesulfonamide is CCc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1N.
What is the InChIKey of 3-amino-N-benzyl-4-ethyl-N-methylbenzenesulfonamide?
The InChIKey is OLAKJEFAKPCIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-14-9-10-15(11-16(14)17)21(19,20)18(2)12-13-7-5-4-6-8-13/h4-11H,3,12,17H2,1-2H3.
What are the key properties of 3-amino-N-benzyl-4-ethyl-N-methylbenzenesulfonamide?
3-amino-N-benzyl-4-ethyl-N-methylbenzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-4-ethyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 43257998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).