N-(benzhydrylideneamino)-4-methoxybenzenesulfonamide

C20H18N2O3S — CID 17249049

IUPACN-(benzhydrylideneamino)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H18N2O3S/c1-25-18-12-14-19(15-13-18)26(23,24)22-21-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,22H,1H3
InChIKeyILOQXYKFSMNFRX-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.43
Rot. Bonds6

About N-(benzhydrylideneamino)-4-methoxybenzenesulfonamide

N-(benzhydrylideneamino)-4-methoxybenzenesulfonamide (PubChem CID 17249049) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-4-methoxybenzenesulfonamide
PubChem CID17249049
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-(benzhydrylideneamino)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H18N2O3S/c1-25-18-12-14-19(15-13-18)26(23,24)22-21-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,22H,1H3
InChIKeyILOQXYKFSMNFRX-UHFFFAOYSA-N
XLogP3.43
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.43
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-(benzhydrylideneamino)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(benzhydrylideneamino)-4-methoxybenzenesulfonamide (CID 17249049) is N-(benzhydrylideneamino)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(benzhydrylideneamino)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(benzhydrylideneamino)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(benzhydrylideneamino)-4-methoxybenzenesulfonamide?
The InChIKey is ILOQXYKFSMNFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-25-18-12-14-19(15-13-18)26(23,24)22-21-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,22H,1H3.
What are the key properties of N-(benzhydrylideneamino)-4-methoxybenzenesulfonamide?
N-(benzhydrylideneamino)-4-methoxybenzenesulfonamide has a molecular weight of 366.44 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 17249049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).