N-(cyclohexylideneamino)-4-methoxybenzenesulfonamide

C13H18N2O3S — CID 795584

IUPACN-(cyclohexylideneamino)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NN=C2CCCCC2)cc1
InChIInChI=1S/C13H18N2O3S/c1-18-12-7-9-13(10-8-12)19(16,17)15-14-11-5-3-2-4-6-11/h7-10,15H,2-6H2,1H3
InChIKeyKMFGTTYYKWCZJR-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.29
Rot. Bonds4

About N-(cyclohexylideneamino)-4-methoxybenzenesulfonamide

N-(cyclohexylideneamino)-4-methoxybenzenesulfonamide (PubChem CID 795584) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(cyclohexylideneamino)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclohexylideneamino)-4-methoxybenzenesulfonamide
PubChem CID795584
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN-(cyclohexylideneamino)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NN=C2CCCCC2)cc1
InChIInChI=1S/C13H18N2O3S/c1-18-12-7-9-13(10-8-12)19(16,17)15-14-11-5-3-2-4-6-11/h7-10,15H,2-6H2,1H3
InChIKeyKMFGTTYYKWCZJR-UHFFFAOYSA-N
XLogP2.29
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.29
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 N-(cyclohexylideneamino)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(cyclohexylideneamino)-4-methoxybenzenesulfonamide (CID 795584) is N-(cyclohexylideneamino)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(cyclohexylideneamino)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(cyclohexylideneamino)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NN=C2CCCCC2)cc1.
What is the InChIKey of N-(cyclohexylideneamino)-4-methoxybenzenesulfonamide?
The InChIKey is KMFGTTYYKWCZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-18-12-7-9-13(10-8-12)19(16,17)15-14-11-5-3-2-4-6-11/h7-10,15H,2-6H2,1H3.
What are the key properties of N-(cyclohexylideneamino)-4-methoxybenzenesulfonamide?
N-(cyclohexylideneamino)-4-methoxybenzenesulfonamide has a molecular weight of 282.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylideneamino)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 795584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).