N,N-dimethyl-2-(methyliminomethyl)benzenesulfonamide

C10H14N2O2S — CID 123778385

IUPACN,N-dimethyl-2-(methyliminomethyl)benzenesulfonamide
SMILESC/N=C/c1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C10H14N2O2S/c1-11-8-9-6-4-5-7-10(9)15(13,14)12(2)3/h4-8H,1-3H3/b11-8+
InChIKeyKTVATDQKYREHKR-DHZHZOJOSA-N
MW226.30 g/mol
LogP0.99
Rot. Bonds3

About N,N-dimethyl-2-(methyliminomethyl)benzenesulfonamide

N,N-dimethyl-2-(methyliminomethyl)benzenesulfonamide (PubChem CID 123778385) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is N,N-dimethyl-2-(methyliminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(methyliminomethyl)benzenesulfonamide
PubChem CID123778385
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC NameN,N-dimethyl-2-(methyliminomethyl)benzenesulfonamide
SMILESC/N=C/c1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C10H14N2O2S/c1-11-8-9-6-4-5-7-10(9)15(13,14)12(2)3/h4-8H,1-3H3/b11-8+
InChIKeyKTVATDQKYREHKR-DHZHZOJOSA-N
XLogP0.99
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N,N-dimethyl-2-(methyliminomethyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(methyliminomethyl)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-2-(methyliminomethyl)benzenesulfonamide (CID 123778385) is N,N-dimethyl-2-(methyliminomethyl)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-(methyliminomethyl)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-2-(methyliminomethyl)benzenesulfonamide is C/N=C/c1ccccc1S(=O)(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-(methyliminomethyl)benzenesulfonamide?
The InChIKey is KTVATDQKYREHKR-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-11-8-9-6-4-5-7-10(9)15(13,14)12(2)3/h4-8H,1-3H3/b11-8+.
What are the key properties of N,N-dimethyl-2-(methyliminomethyl)benzenesulfonamide?
N,N-dimethyl-2-(methyliminomethyl)benzenesulfonamide has a molecular weight of 226.30 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(methyliminomethyl)benzenesulfonamide is sourced from PubChem (CID 123778385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).