2-oxo-N-propyl-3,5-dihydro-1H-1,4-benzodiazepine-4-sulfonamide

C12H17N3O3S — CID 114810171

IUPAC2-oxo-N-propyl-3,5-dihydro-1H-1,4-benzodiazepine-4-sulfonamide
SMILESCCCNS(=O)(=O)N1CC(=O)Nc2ccccc2C1
InChIInChI=1S/C12H17N3O3S/c1-2-7-13-19(17,18)15-8-10-5-3-4-6-11(10)14-12(16)9-15/h3-6,13H,2,7-9H2,1H3,(H,14,16)
InChIKeyPQJLKMWJKDTARC-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.69
Rot. Bonds4

About 2-oxo-N-propyl-3,5-dihydro-1H-1,4-benzodiazepine-4-sulfonamide

2-oxo-N-propyl-3,5-dihydro-1H-1,4-benzodiazepine-4-sulfonamide (PubChem CID 114810171) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-oxo-N-propyl-3,5-dihydro-1H-1,4-benzodiazepine-4-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-propyl-3,5-dihydro-1H-1,4-benzodiazepine-4-sulfonamide
PubChem CID114810171
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-oxo-N-propyl-3,5-dihydro-1H-1,4-benzodiazepine-4-sulfonamide
SMILESCCCNS(=O)(=O)N1CC(=O)Nc2ccccc2C1
InChIInChI=1S/C12H17N3O3S/c1-2-7-13-19(17,18)15-8-10-5-3-4-6-11(10)14-12(16)9-15/h3-6,13H,2,7-9H2,1H3,(H,14,16)
InChIKeyPQJLKMWJKDTARC-UHFFFAOYSA-N
XLogP0.69
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-propyl-3,5-dihydro-1H-1,4-benzodiazepine-4-sulfonamide?
The IUPAC name of 2-oxo-N-propyl-3,5-dihydro-1H-1,4-benzodiazepine-4-sulfonamide (CID 114810171) is 2-oxo-N-propyl-3,5-dihydro-1H-1,4-benzodiazepine-4-sulfonamide.
What is the SMILES notation for 2-oxo-N-propyl-3,5-dihydro-1H-1,4-benzodiazepine-4-sulfonamide?
The canonical SMILES for 2-oxo-N-propyl-3,5-dihydro-1H-1,4-benzodiazepine-4-sulfonamide is CCCNS(=O)(=O)N1CC(=O)Nc2ccccc2C1.
What is the InChIKey of 2-oxo-N-propyl-3,5-dihydro-1H-1,4-benzodiazepine-4-sulfonamide?
The InChIKey is PQJLKMWJKDTARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-2-7-13-19(17,18)15-8-10-5-3-4-6-11(10)14-12(16)9-15/h3-6,13H,2,7-9H2,1H3,(H,14,16).
What are the key properties of 2-oxo-N-propyl-3,5-dihydro-1H-1,4-benzodiazepine-4-sulfonamide?
2-oxo-N-propyl-3,5-dihydro-1H-1,4-benzodiazepine-4-sulfonamide has a molecular weight of 283.35 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-propyl-3,5-dihydro-1H-1,4-benzodiazepine-4-sulfonamide is sourced from PubChem (CID 114810171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).