N-ethyl-4-(methylaminomethyl)benzenesulfonamide

C10H16N2O2S — CID 60821797

IUPACN-ethyl-4-(methylaminomethyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(CNC)cc1
InChIInChI=1S/C10H16N2O2S/c1-3-12-15(13,14)10-6-4-9(5-7-10)8-11-2/h4-7,11-12H,3,8H2,1-2H3
InChIKeyNSJDNEBWKKHFGV-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.70
Rot. Bonds5

About N-ethyl-4-(methylaminomethyl)benzenesulfonamide

N-ethyl-4-(methylaminomethyl)benzenesulfonamide (PubChem CID 60821797) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-ethyl-4-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(methylaminomethyl)benzenesulfonamide
PubChem CID60821797
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-ethyl-4-(methylaminomethyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(CNC)cc1
InChIInChI=1S/C10H16N2O2S/c1-3-12-15(13,14)10-6-4-9(5-7-10)8-11-2/h4-7,11-12H,3,8H2,1-2H3
InChIKeyNSJDNEBWKKHFGV-UHFFFAOYSA-N
XLogP0.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 54935180
N-ethyl-4-(methylsulfonylmethyl)benzenesulfonamide
CID 160796965
4-(2-aminoethyl)-N-ethylbenzenesulfonamide
CID 16643231
4-[(4-chlorophenyl)methylamino]-N-ethylbenzenesulfonamide
CID 43453946
N-[(2-bromophenyl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 61414020
N-ethyl-4-hydroxybenzenesulfonamide
CID 43135494
4-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 60823404
4-tert-butyl-N-ethylbenzenesulfonamide
CID 846956
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 106373721
N-[(4,5-dimethylthiophen-2-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 65243443
N-(2-cyclohexylethyl)-4-(methylaminomethyl)benzenesulfonamide
CID 60915978
4-amino-N-ethylbenzenesulfonamide;molecular hydrogen
CID 143629087

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-4-(methylaminomethyl)benzenesulfonamide (CID 60821797) is N-ethyl-4-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-(methylaminomethyl)benzenesulfonamide is CCNS(=O)(=O)c1ccc(CNC)cc1.
What is the InChIKey of N-ethyl-4-(methylaminomethyl)benzenesulfonamide?
The InChIKey is NSJDNEBWKKHFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-3-12-15(13,14)10-6-4-9(5-7-10)8-11-2/h4-7,11-12H,3,8H2,1-2H3.
What are the key properties of N-ethyl-4-(methylaminomethyl)benzenesulfonamide?
N-ethyl-4-(methylaminomethyl)benzenesulfonamide has a molecular weight of 228.32 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 60821797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).