4-methyl-N-[(Z)-3-methylbut-2-enylideneamino]benzenesulfonamide

C12H16N2O2S — CID 101106192

IUPAC4-methyl-N-[(Z)-3-methylbut-2-enylideneamino]benzenesulfonamide
SMILESCC(C)=C/C=N\NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H16N2O2S/c1-10(2)8-9-13-14-17(15,16)12-6-4-11(3)5-7-12/h4-9,14H,1-3H3/b13-9-
InChIKeyGUSICCOLPYXEBZ-LCYFTJDESA-N
MW252.34 g/mol
LogP2.23
Rot. Bonds4

About 4-methyl-N-[(Z)-3-methylbut-2-enylideneamino]benzenesulfonamide

4-methyl-N-[(Z)-3-methylbut-2-enylideneamino]benzenesulfonamide (PubChem CID 101106192) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-methyl-N-[(Z)-3-methylbut-2-enylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(Z)-3-methylbut-2-enylideneamino]benzenesulfonamide
PubChem CID101106192
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name4-methyl-N-[(Z)-3-methylbut-2-enylideneamino]benzenesulfonamide
SMILESCC(C)=C/C=N\NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H16N2O2S/c1-10(2)8-9-13-14-17(15,16)12-6-4-11(3)5-7-12/h4-9,14H,1-3H3/b13-9-
InChIKeyGUSICCOLPYXEBZ-LCYFTJDESA-N
XLogP2.23
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.23
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-methylphenyl)sulfonylhydrazinylidene]methanesulfinic acid
CID 162411258
4-methyl-N-[(E)-[(2R,3S,4R,5S)-2,3,4,5-tetrahydroxyhexylidene]amino]benzenesulfonamide
CID 170858151
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 6042730
bromoethene;4-methyl-N-(methylideneamino)benzenesulfonamide
CID 123614271
4-methyl-N-[(E)-1,1,1-trichloropropan-2-ylideneamino]benzenesulfonamide
CID 134897096
N-(4-methylphenyl)sulfonyl-2-oxoethanehydrazonoyl chloride
CID 57088982
N-[(Z)-[(4E)-3-hydroxyimino-4-[(4-methylphenyl)sulfonylhydrazinylidene]pentan-2-ylidene]amino]-4-methylbenzenesulfonamide
CID 136734384
N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 5387407
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 135541690
2-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]benzoic acid
CID 74699055
N-[(2-fluoro-4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 174212459
4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide
CID 162516902

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(Z)-3-methylbut-2-enylideneamino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(Z)-3-methylbut-2-enylideneamino]benzenesulfonamide (CID 101106192) is 4-methyl-N-[(Z)-3-methylbut-2-enylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(Z)-3-methylbut-2-enylideneamino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(Z)-3-methylbut-2-enylideneamino]benzenesulfonamide is CC(C)=C/C=N\NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[(Z)-3-methylbut-2-enylideneamino]benzenesulfonamide?
The InChIKey is GUSICCOLPYXEBZ-LCYFTJDESA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-10(2)8-9-13-14-17(15,16)12-6-4-11(3)5-7-12/h4-9,14H,1-3H3/b13-9-.
What are the key properties of 4-methyl-N-[(Z)-3-methylbut-2-enylideneamino]benzenesulfonamide?
4-methyl-N-[(Z)-3-methylbut-2-enylideneamino]benzenesulfonamide has a molecular weight of 252.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(Z)-3-methylbut-2-enylideneamino]benzenesulfonamide is sourced from PubChem (CID 101106192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).