N-[(Z)-(5,5-dimethylcyclohex-2-en-1-ylidene)amino]-2,4,6-tri(propan-2-yl)benzenesulfonamide

C23H36N2O2S — CID 6510926

IUPACN-[(Z)-(5,5-dimethylcyclohex-2-en-1-ylidene)amino]-2,4,6-tri(propan-2-yl)benzenesulfonamide
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)N/N=C2\C=CCC(C)(C)C2)c(C(C)C)c1
InChIInChI=1S/C23H36N2O2S/c1-15(2)18-12-20(16(3)4)22(21(13-18)17(5)6)28(26,27)25-24-19-10-9-11-23(7,8)14-19/h9-10,12-13,15-17,25H,11,14H2,1-8H3/b24-19+
InChIKeyMSERXMUYIINALX-LYBHJNIJSA-N
MW404.62 g/mol
LogP6.07
Rot. Bonds6

About N-[(Z)-(5,5-dimethylcyclohex-2-en-1-ylidene)amino]-2,4,6-tri(propan-2-yl)benzenesulfonamide

N-[(Z)-(5,5-dimethylcyclohex-2-en-1-ylidene)amino]-2,4,6-tri(propan-2-yl)benzenesulfonamide (PubChem CID 6510926) has the molecular formula C23H36N2O2S and a molecular weight of 404.62 g/mol. Its IUPAC name is N-[(Z)-(5,5-dimethylcyclohex-2-en-1-ylidene)amino]-2,4,6-tri(propan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-(5,5-dimethylcyclohex-2-en-1-ylidene)amino]-2,4,6-tri(propan-2-yl)benzenesulfonamide
PubChem CID6510926
Molecular FormulaC23H36N2O2S
Molecular Weight404.62 g/mol
Exact Mass404.25
IUPAC NameN-[(Z)-(5,5-dimethylcyclohex-2-en-1-ylidene)amino]-2,4,6-tri(propan-2-yl)benzenesulfonamide
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)N/N=C2\C=CCC(C)(C)C2)c(C(C)C)c1
InChIInChI=1S/C23H36N2O2S/c1-15(2)18-12-20(16(3)4)22(21(13-18)17(5)6)28(26,27)25-24-19-10-9-11-23(7,8)14-19/h9-10,12-13,15-17,25H,11,14H2,1-8H3/b24-19+
InChIKeyMSERXMUYIINALX-LYBHJNIJSA-N
XLogP6.07
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.62
LogP ≤ 56.07
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5,5-dimethylcyclohex-2-en-1-ylidene)amino]-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The IUPAC name of N-[(Z)-(5,5-dimethylcyclohex-2-en-1-ylidene)amino]-2,4,6-tri(propan-2-yl)benzenesulfonamide (CID 6510926) is N-[(Z)-(5,5-dimethylcyclohex-2-en-1-ylidene)amino]-2,4,6-tri(propan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-[(Z)-(5,5-dimethylcyclohex-2-en-1-ylidene)amino]-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The canonical SMILES for N-[(Z)-(5,5-dimethylcyclohex-2-en-1-ylidene)amino]-2,4,6-tri(propan-2-yl)benzenesulfonamide is CC(C)c1cc(C(C)C)c(S(=O)(=O)N/N=C2\C=CCC(C)(C)C2)c(C(C)C)c1.
What is the InChIKey of N-[(Z)-(5,5-dimethylcyclohex-2-en-1-ylidene)amino]-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The InChIKey is MSERXMUYIINALX-LYBHJNIJSA-N. The full InChI is InChI=1S/C23H36N2O2S/c1-15(2)18-12-20(16(3)4)22(21(13-18)17(5)6)28(26,27)25-24-19-10-9-11-23(7,8)14-19/h9-10,12-13,15-17,25H,11,14H2,1-8H3/b24-19+.
What are the key properties of N-[(Z)-(5,5-dimethylcyclohex-2-en-1-ylidene)amino]-2,4,6-tri(propan-2-yl)benzenesulfonamide?
N-[(Z)-(5,5-dimethylcyclohex-2-en-1-ylidene)amino]-2,4,6-tri(propan-2-yl)benzenesulfonamide has a molecular weight of 404.62 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5,5-dimethylcyclohex-2-en-1-ylidene)amino]-2,4,6-tri(propan-2-yl)benzenesulfonamide is sourced from PubChem (CID 6510926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).