4-methyl-N-[(E)-(3-prop-2-enylcyclohexylidene)amino]benzenesulfonamide

C16H22N2O2S — CID 6244004

IUPAC4-methyl-N-[(E)-(3-prop-2-enylcyclohexylidene)amino]benzenesulfonamide
SMILESC=CCC1CCC/C(=N\NS(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C16H22N2O2S/c1-3-5-14-6-4-7-15(12-14)17-18-21(19,20)16-10-8-13(2)9-11-16/h3,8-11,14,18H,1,4-7,12H2,2H3/b17-15+
InChIKeyVYJMBJUSAWBXPK-BMRADRMJSA-N
MW306.43 g/mol
LogP3.40
Rot. Bonds5

About 4-methyl-N-[(E)-(3-prop-2-enylcyclohexylidene)amino]benzenesulfonamide

4-methyl-N-[(E)-(3-prop-2-enylcyclohexylidene)amino]benzenesulfonamide (PubChem CID 6244004) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 4-methyl-N-[(E)-(3-prop-2-enylcyclohexylidene)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-(3-prop-2-enylcyclohexylidene)amino]benzenesulfonamide
PubChem CID6244004
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name4-methyl-N-[(E)-(3-prop-2-enylcyclohexylidene)amino]benzenesulfonamide
SMILESC=CCC1CCC/C(=N\NS(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C16H22N2O2S/c1-3-5-14-6-4-7-15(12-14)17-18-21(19,20)16-10-8-13(2)9-11-16/h3,8-11,14,18H,1,4-7,12H2,2H3/b17-15+
InChIKeyVYJMBJUSAWBXPK-BMRADRMJSA-N
XLogP3.40
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[(E)-(3-prop-2-enylcyclohexylidene)amino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(E)-(3-prop-2-enylcyclohexylidene)amino]benzenesulfonamide (CID 6244004) is 4-methyl-N-[(E)-(3-prop-2-enylcyclohexylidene)amino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(E)-(3-prop-2-enylcyclohexylidene)amino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(E)-(3-prop-2-enylcyclohexylidene)amino]benzenesulfonamide is C=CCC1CCC/C(=N\NS(=O)(=O)c2ccc(C)cc2)C1.
What is the InChIKey of 4-methyl-N-[(E)-(3-prop-2-enylcyclohexylidene)amino]benzenesulfonamide?
The InChIKey is VYJMBJUSAWBXPK-BMRADRMJSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-3-5-14-6-4-7-15(12-14)17-18-21(19,20)16-10-8-13(2)9-11-16/h3,8-11,14,18H,1,4-7,12H2,2H3/b17-15+.
What are the key properties of 4-methyl-N-[(E)-(3-prop-2-enylcyclohexylidene)amino]benzenesulfonamide?
4-methyl-N-[(E)-(3-prop-2-enylcyclohexylidene)amino]benzenesulfonamide has a molecular weight of 306.43 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-(3-prop-2-enylcyclohexylidene)amino]benzenesulfonamide is sourced from PubChem (CID 6244004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).