N-[(9-ethylcarbazol-3-yl)methylideneamino]-N,4-dimethylbenzenesulfonamide

C23H23N3O2S — CID 23960642

IUPACN-[(9-ethylcarbazol-3-yl)methylideneamino]-N,4-dimethylbenzenesulfonamide
SMILESCCn1c2ccccc2c2cc(C=NN(C)S(=O)(=O)c3ccc(C)cc3)ccc21
InChIInChI=1S/C23H23N3O2S/c1-4-26-22-8-6-5-7-20(22)21-15-18(11-14-23(21)26)16-24-25(3)29(27,28)19-12-9-17(2)10-13-19/h5-16H,4H2,1-3H3
InChIKeyTVFCVFPYBDUJAK-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.78
Rot. Bonds5

About N-[(9-ethylcarbazol-3-yl)methylideneamino]-N,4-dimethylbenzenesulfonamide

N-[(9-ethylcarbazol-3-yl)methylideneamino]-N,4-dimethylbenzenesulfonamide (PubChem CID 23960642) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[(9-ethylcarbazol-3-yl)methylideneamino]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(9-ethylcarbazol-3-yl)methylideneamino]-N,4-dimethylbenzenesulfonamide
PubChem CID23960642
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC NameN-[(9-ethylcarbazol-3-yl)methylideneamino]-N,4-dimethylbenzenesulfonamide
SMILESCCn1c2ccccc2c2cc(C=NN(C)S(=O)(=O)c3ccc(C)cc3)ccc21
InChIInChI=1S/C23H23N3O2S/c1-4-26-22-8-6-5-7-20(22)21-15-18(11-14-23(21)26)16-24-25(3)29(27,28)19-12-9-17(2)10-13-19/h5-16H,4H2,1-3H3
InChIKeyTVFCVFPYBDUJAK-UHFFFAOYSA-N
XLogP4.78
TPSA54.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.78
H-Bond Donors ≤ 50
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-[(9-ethylcarbazol-3-yl)methylideneamino]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[(9-ethylcarbazol-3-yl)methylideneamino]-N,4-dimethylbenzenesulfonamide (CID 23960642) is N-[(9-ethylcarbazol-3-yl)methylideneamino]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(9-ethylcarbazol-3-yl)methylideneamino]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(9-ethylcarbazol-3-yl)methylideneamino]-N,4-dimethylbenzenesulfonamide is CCn1c2ccccc2c2cc(C=NN(C)S(=O)(=O)c3ccc(C)cc3)ccc21.
What is the InChIKey of N-[(9-ethylcarbazol-3-yl)methylideneamino]-N,4-dimethylbenzenesulfonamide?
The InChIKey is TVFCVFPYBDUJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-4-26-22-8-6-5-7-20(22)21-15-18(11-14-23(21)26)16-24-25(3)29(27,28)19-12-9-17(2)10-13-19/h5-16H,4H2,1-3H3.
What are the key properties of N-[(9-ethylcarbazol-3-yl)methylideneamino]-N,4-dimethylbenzenesulfonamide?
N-[(9-ethylcarbazol-3-yl)methylideneamino]-N,4-dimethylbenzenesulfonamide has a molecular weight of 405.52 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-ethylcarbazol-3-yl)methylideneamino]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 23960642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).