N-(2-methylpropylideneamino)benzenesulfonamide

C10H14N2O2S — CID 4149632

IUPACN-(2-methylpropylideneamino)benzenesulfonamide
SMILESCC(C)C=NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H14N2O2S/c1-9(2)8-11-12-15(13,14)10-6-4-3-5-7-10/h3-9,12H,1-2H3
InChIKeyMOESPUMDFHLKTA-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.61
Rot. Bonds4

About N-(2-methylpropylideneamino)benzenesulfonamide

N-(2-methylpropylideneamino)benzenesulfonamide (PubChem CID 4149632) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is N-(2-methylpropylideneamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylpropylideneamino)benzenesulfonamide
PubChem CID4149632
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC NameN-(2-methylpropylideneamino)benzenesulfonamide
SMILESCC(C)C=NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H14N2O2S/c1-9(2)8-11-12-15(13,14)10-6-4-3-5-7-10/h3-9,12H,1-2H3
InChIKeyMOESPUMDFHLKTA-UHFFFAOYSA-N
XLogP1.61
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzenesulfonamide
CID 7923211
N-[(E)-(2-fluorophenyl)methylideneamino]benzenesulfonamide
CID 6894293
N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 5387407
N-nitrosobenzenesulfonamide
CID 57254362
N-[[4-(dimethylamino)phenyl]methylideneamino]benzenesulfonamide
CID 872082
N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
CID 110509597
N-[(Z)-(1-cyclopropyl-2-methylpropylidene)amino]benzenesulfonamide
CID 177489049
N-[(2,3,4-trimethylphenyl)methylideneamino]benzenesulfonamide
CID 881745
N-[[4-(benzenesulfonylhydrazinylidene)cyclohexylidene]amino]benzenesulfonamide
CID 171981444
N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 135641596
N-[(2-chlorophenyl)methylideneamino]benzenesulfonamide
CID 1474680
N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzenesulfonamide
CID 5397914

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropylideneamino)benzenesulfonamide?
The IUPAC name of N-(2-methylpropylideneamino)benzenesulfonamide (CID 4149632) is N-(2-methylpropylideneamino)benzenesulfonamide.
What is the SMILES notation for N-(2-methylpropylideneamino)benzenesulfonamide?
The canonical SMILES for N-(2-methylpropylideneamino)benzenesulfonamide is CC(C)C=NNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-methylpropylideneamino)benzenesulfonamide?
The InChIKey is MOESPUMDFHLKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-9(2)8-11-12-15(13,14)10-6-4-3-5-7-10/h3-9,12H,1-2H3.
What are the key properties of N-(2-methylpropylideneamino)benzenesulfonamide?
N-(2-methylpropylideneamino)benzenesulfonamide has a molecular weight of 226.30 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropylideneamino)benzenesulfonamide is sourced from PubChem (CID 4149632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).