N,N-dipropyl-2,3,4,5-tetrahydro-1,4-benzodiazepine-1-sulfonamide

C15H25N3O2S — CID 63101007

IUPACN,N-dipropyl-2,3,4,5-tetrahydro-1,4-benzodiazepine-1-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)N1CCNCc2ccccc21
InChIInChI=1S/C15H25N3O2S/c1-3-10-17(11-4-2)21(19,20)18-12-9-16-13-14-7-5-6-8-15(14)18/h5-8,16H,3-4,9-13H2,1-2H3
InChIKeyZOXAHQZCYSVTHT-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.96
Rot. Bonds6

About N,N-dipropyl-2,3,4,5-tetrahydro-1,4-benzodiazepine-1-sulfonamide

N,N-dipropyl-2,3,4,5-tetrahydro-1,4-benzodiazepine-1-sulfonamide (PubChem CID 63101007) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N,N-dipropyl-2,3,4,5-tetrahydro-1,4-benzodiazepine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dipropyl-2,3,4,5-tetrahydro-1,4-benzodiazepine-1-sulfonamide
PubChem CID63101007
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN,N-dipropyl-2,3,4,5-tetrahydro-1,4-benzodiazepine-1-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)N1CCNCc2ccccc21
InChIInChI=1S/C15H25N3O2S/c1-3-10-17(11-4-2)21(19,20)18-12-9-16-13-14-7-5-6-8-15(14)18/h5-8,16H,3-4,9-13H2,1-2H3
InChIKeyZOXAHQZCYSVTHT-UHFFFAOYSA-N
XLogP1.96
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-2,3,4,5-tetrahydro-1,4-benzodiazepine-1-sulfonamide?
The IUPAC name of N,N-dipropyl-2,3,4,5-tetrahydro-1,4-benzodiazepine-1-sulfonamide (CID 63101007) is N,N-dipropyl-2,3,4,5-tetrahydro-1,4-benzodiazepine-1-sulfonamide.
What is the SMILES notation for N,N-dipropyl-2,3,4,5-tetrahydro-1,4-benzodiazepine-1-sulfonamide?
The canonical SMILES for N,N-dipropyl-2,3,4,5-tetrahydro-1,4-benzodiazepine-1-sulfonamide is CCCN(CCC)S(=O)(=O)N1CCNCc2ccccc21.
What is the InChIKey of N,N-dipropyl-2,3,4,5-tetrahydro-1,4-benzodiazepine-1-sulfonamide?
The InChIKey is ZOXAHQZCYSVTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-10-17(11-4-2)21(19,20)18-12-9-16-13-14-7-5-6-8-15(14)18/h5-8,16H,3-4,9-13H2,1-2H3.
What are the key properties of N,N-dipropyl-2,3,4,5-tetrahydro-1,4-benzodiazepine-1-sulfonamide?
N,N-dipropyl-2,3,4,5-tetrahydro-1,4-benzodiazepine-1-sulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-2,3,4,5-tetrahydro-1,4-benzodiazepine-1-sulfonamide is sourced from PubChem (CID 63101007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).