4-methyl-N-[(Z)-(5-methyloxolan-3-ylidene)amino]benzenesulfonamide

C12H16N2O3S — CID 6377556

IUPAC4-methyl-N-[(Z)-(5-methyloxolan-3-ylidene)amino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C2\COC(C)C2)cc1
InChIInChI=1S/C12H16N2O3S/c1-9-3-5-12(6-4-9)18(15,16)14-13-11-7-10(2)17-8-11/h3-6,10,14H,7-8H2,1-2H3/b13-11-
InChIKeyCANHQCIKIYJZOR-QBFSEMIESA-N
MW268.34 g/mol
LogP1.44
Rot. Bonds3

About 4-methyl-N-[(Z)-(5-methyloxolan-3-ylidene)amino]benzenesulfonamide

4-methyl-N-[(Z)-(5-methyloxolan-3-ylidene)amino]benzenesulfonamide (PubChem CID 6377556) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-methyl-N-[(Z)-(5-methyloxolan-3-ylidene)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(Z)-(5-methyloxolan-3-ylidene)amino]benzenesulfonamide
PubChem CID6377556
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name4-methyl-N-[(Z)-(5-methyloxolan-3-ylidene)amino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C2\COC(C)C2)cc1
InChIInChI=1S/C12H16N2O3S/c1-9-3-5-12(6-4-9)18(15,16)14-13-11-7-10(2)17-8-11/h3-6,10,14H,7-8H2,1-2H3/b13-11-
InChIKeyCANHQCIKIYJZOR-QBFSEMIESA-N
XLogP1.44
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(Z)-(5-methyloxolan-3-ylidene)amino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(Z)-(5-methyloxolan-3-ylidene)amino]benzenesulfonamide (CID 6377556) is 4-methyl-N-[(Z)-(5-methyloxolan-3-ylidene)amino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(Z)-(5-methyloxolan-3-ylidene)amino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(Z)-(5-methyloxolan-3-ylidene)amino]benzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C2\COC(C)C2)cc1.
What is the InChIKey of 4-methyl-N-[(Z)-(5-methyloxolan-3-ylidene)amino]benzenesulfonamide?
The InChIKey is CANHQCIKIYJZOR-QBFSEMIESA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-9-3-5-12(6-4-9)18(15,16)14-13-11-7-10(2)17-8-11/h3-6,10,14H,7-8H2,1-2H3/b13-11-.
What are the key properties of 4-methyl-N-[(Z)-(5-methyloxolan-3-ylidene)amino]benzenesulfonamide?
4-methyl-N-[(Z)-(5-methyloxolan-3-ylidene)amino]benzenesulfonamide has a molecular weight of 268.34 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(Z)-(5-methyloxolan-3-ylidene)amino]benzenesulfonamide is sourced from PubChem (CID 6377556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).