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

C12H17N3O3S — CID 114810179

IUPACN-ethyl-3-methyl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-sulfonamide
SMILESCCNS(=O)(=O)N1Cc2ccccc2NC(=O)C1C
InChIInChI=1S/C12H17N3O3S/c1-3-13-19(17,18)15-8-10-6-4-5-7-11(10)14-12(16)9(15)2/h4-7,9,13H,3,8H2,1-2H3,(H,14,16)
InChIKeyCVRWCFIXYVWHAZ-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.68
Rot. Bonds3

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

N-ethyl-3-methyl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-sulfonamide (PubChem CID 114810179) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-ethyl-3-methyl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-sulfonamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-sulfonamide
PubChem CID114810179
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-ethyl-3-methyl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-sulfonamide
SMILESCCNS(=O)(=O)N1Cc2ccccc2NC(=O)C1C
InChIInChI=1S/C12H17N3O3S/c1-3-13-19(17,18)15-8-10-6-4-5-7-11(10)14-12(16)9(15)2/h4-7,9,13H,3,8H2,1-2H3,(H,14,16)
InChIKeyCVRWCFIXYVWHAZ-UHFFFAOYSA-N
XLogP0.68
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-sulfonamide?
The IUPAC name of N-ethyl-3-methyl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-sulfonamide (CID 114810179) is N-ethyl-3-methyl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-sulfonamide.
What is the SMILES notation for N-ethyl-3-methyl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-sulfonamide?
The canonical SMILES for N-ethyl-3-methyl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-sulfonamide is CCNS(=O)(=O)N1Cc2ccccc2NC(=O)C1C.
What is the InChIKey of N-ethyl-3-methyl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-sulfonamide?
The InChIKey is CVRWCFIXYVWHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-3-13-19(17,18)15-8-10-6-4-5-7-11(10)14-12(16)9(15)2/h4-7,9,13H,3,8H2,1-2H3,(H,14,16).
What are the key properties of N-ethyl-3-methyl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-sulfonamide?
N-ethyl-3-methyl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-sulfonamide has a molecular weight of 283.35 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-sulfonamide is sourced from PubChem (CID 114810179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).