N-ethyl-4-(methylideneamino)benzenesulfonamide

C9H12N2O2S — CID 163819248

IUPACN-ethyl-4-(methylideneamino)benzenesulfonamide
SMILESC=Nc1ccc(S(=O)(=O)NCC)cc1
InChIInChI=1S/C9H12N2O2S/c1-3-11-14(12,13)9-6-4-8(10-2)5-7-9/h4-7,11H,2-3H2,1H3
InChIKeyNTZVPTMXRXDUFR-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.32
Rot. Bonds4

About N-ethyl-4-(methylideneamino)benzenesulfonamide

N-ethyl-4-(methylideneamino)benzenesulfonamide (PubChem CID 163819248) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is N-ethyl-4-(methylideneamino)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(methylideneamino)benzenesulfonamide
PubChem CID163819248
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC NameN-ethyl-4-(methylideneamino)benzenesulfonamide
SMILESC=Nc1ccc(S(=O)(=O)NCC)cc1
InChIInChI=1S/C9H12N2O2S/c1-3-11-14(12,13)9-6-4-8(10-2)5-7-9/h4-7,11H,2-3H2,1H3
InChIKeyNTZVPTMXRXDUFR-UHFFFAOYSA-N
XLogP1.32
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-hydroxybenzenesulfonamide
CID 43135494
4-tert-butyl-N-ethylbenzenesulfonamide
CID 846956
4-amino-N-ethylbenzenesulfonamide;molecular hydrogen
CID 143629087
N-ethyl-4-(3,3,3-trifluoropropylamino)benzenesulfonamide
CID 63226786
N-ethyl-4-(methylaminomethyl)benzenesulfonamide
CID 60821797
N-ethyl-4-(methylsulfonylmethyl)benzenesulfonamide
CID 160796965
4-(methylideneamino)-N-pyrimidin-2-ylbenzenesulfonamide
CID 66656852
4-(2-aminoethyl)-N-ethylbenzenesulfonamide
CID 16643231
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
4-(benzenesulfonamido)-N-ethylbenzenesulfonamide
CID 2230301
4-[(4-chlorophenyl)sulfonylamino]-N-ethylbenzenesulfonamide
CID 22203365
4-(cyclopropylamino)-N-ethylbenzenesulfonamide
CID 43453953

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(methylideneamino)benzenesulfonamide?
The IUPAC name of N-ethyl-4-(methylideneamino)benzenesulfonamide (CID 163819248) is N-ethyl-4-(methylideneamino)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-(methylideneamino)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-(methylideneamino)benzenesulfonamide is C=Nc1ccc(S(=O)(=O)NCC)cc1.
What is the InChIKey of N-ethyl-4-(methylideneamino)benzenesulfonamide?
The InChIKey is NTZVPTMXRXDUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-3-11-14(12,13)9-6-4-8(10-2)5-7-9/h4-7,11H,2-3H2,1H3.
What are the key properties of N-ethyl-4-(methylideneamino)benzenesulfonamide?
N-ethyl-4-(methylideneamino)benzenesulfonamide has a molecular weight of 212.27 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(methylideneamino)benzenesulfonamide is sourced from PubChem (CID 163819248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).