(NZ)-4-(benzylamino)-N-(1-ethylpyrrolidin-2-ylidene)benzenesulfonamide

C19H23N3O2S — CID 6510236

IUPAC(NZ)-4-(benzylamino)-N-(1-ethylpyrrolidin-2-ylidene)benzenesulfonamide
SMILESCCN1CCC/C1=N/S(=O)(=O)c1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C19H23N3O2S/c1-2-22-14-6-9-19(22)21-25(23,24)18-12-10-17(11-13-18)20-15-16-7-4-3-5-8-16/h3-5,7-8,10-13,20H,2,6,9,14-15H2,1H3/b21-19-
InChIKeySABNYUQAMCDTIY-VZCXRCSSSA-N
MW357.48 g/mol
LogP3.50
Rot. Bonds6

About (NZ)-4-(benzylamino)-N-(1-ethylpyrrolidin-2-ylidene)benzenesulfonamide

(NZ)-4-(benzylamino)-N-(1-ethylpyrrolidin-2-ylidene)benzenesulfonamide (PubChem CID 6510236) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is (NZ)-4-(benzylamino)-N-(1-ethylpyrrolidin-2-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-4-(benzylamino)-N-(1-ethylpyrrolidin-2-ylidene)benzenesulfonamide
PubChem CID6510236
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name(NZ)-4-(benzylamino)-N-(1-ethylpyrrolidin-2-ylidene)benzenesulfonamide
SMILESCCN1CCC/C1=N/S(=O)(=O)c1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C19H23N3O2S/c1-2-22-14-6-9-19(22)21-25(23,24)18-12-10-17(11-13-18)20-15-16-7-4-3-5-8-16/h3-5,7-8,10-13,20H,2,6,9,14-15H2,1H3/b21-19-
InChIKeySABNYUQAMCDTIY-VZCXRCSSSA-N
XLogP3.50
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-4-(benzylamino)-N-(1-ethylpyrrolidin-2-ylidene)benzenesulfonamide?
The IUPAC name of (NZ)-4-(benzylamino)-N-(1-ethylpyrrolidin-2-ylidene)benzenesulfonamide (CID 6510236) is (NZ)-4-(benzylamino)-N-(1-ethylpyrrolidin-2-ylidene)benzenesulfonamide.
What is the SMILES notation for (NZ)-4-(benzylamino)-N-(1-ethylpyrrolidin-2-ylidene)benzenesulfonamide?
The canonical SMILES for (NZ)-4-(benzylamino)-N-(1-ethylpyrrolidin-2-ylidene)benzenesulfonamide is CCN1CCC/C1=N/S(=O)(=O)c1ccc(NCc2ccccc2)cc1.
What is the InChIKey of (NZ)-4-(benzylamino)-N-(1-ethylpyrrolidin-2-ylidene)benzenesulfonamide?
The InChIKey is SABNYUQAMCDTIY-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-2-22-14-6-9-19(22)21-25(23,24)18-12-10-17(11-13-18)20-15-16-7-4-3-5-8-16/h3-5,7-8,10-13,20H,2,6,9,14-15H2,1H3/b21-19-.
What are the key properties of (NZ)-4-(benzylamino)-N-(1-ethylpyrrolidin-2-ylidene)benzenesulfonamide?
(NZ)-4-(benzylamino)-N-(1-ethylpyrrolidin-2-ylidene)benzenesulfonamide has a molecular weight of 357.48 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-4-(benzylamino)-N-(1-ethylpyrrolidin-2-ylidene)benzenesulfonamide is sourced from PubChem (CID 6510236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).