N-(benzhydrylideneamino)butane-1-sulfonamide

C17H20N2O2S — CID 135079545

IUPACN-(benzhydrylideneamino)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2O2S/c1-2-3-14-22(20,21)19-18-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,19H,2-3,14H2,1H3
InChIKeyJAZLBLJBPOTNKT-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.16
Rot. Bonds7

About N-(benzhydrylideneamino)butane-1-sulfonamide

N-(benzhydrylideneamino)butane-1-sulfonamide (PubChem CID 135079545) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(benzhydrylideneamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(benzhydrylideneamino)butane-1-sulfonamide
PubChem CID135079545
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-(benzhydrylideneamino)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2O2S/c1-2-3-14-22(20,21)19-18-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,19H,2-3,14H2,1H3
InChIKeyJAZLBLJBPOTNKT-UHFFFAOYSA-N
XLogP3.16
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.16
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-(benzhydrylideneamino)butane-1-sulfonamide?
The IUPAC name of N-(benzhydrylideneamino)butane-1-sulfonamide (CID 135079545) is N-(benzhydrylideneamino)butane-1-sulfonamide.
What is the SMILES notation for N-(benzhydrylideneamino)butane-1-sulfonamide?
The canonical SMILES for N-(benzhydrylideneamino)butane-1-sulfonamide is CCCCS(=O)(=O)NN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(benzhydrylideneamino)butane-1-sulfonamide?
The InChIKey is JAZLBLJBPOTNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-2-3-14-22(20,21)19-18-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,19H,2-3,14H2,1H3.
What are the key properties of N-(benzhydrylideneamino)butane-1-sulfonamide?
N-(benzhydrylideneamino)butane-1-sulfonamide has a molecular weight of 316.43 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)butane-1-sulfonamide is sourced from PubChem (CID 135079545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).