N-cyclopentyl-3-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide

C15H19N3O4S — CID 46271707

IUPACN-cyclopentyl-3-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
SMILESCC1C(=O)Nc2ccc(S(=O)(=O)NC3CCCC3)cc2NC1=O
InChIInChI=1S/C15H19N3O4S/c1-9-14(19)16-12-7-6-11(8-13(12)17-15(9)20)23(21,22)18-10-4-2-3-5-10/h6-10,18H,2-5H2,1H3,(H,16,19)(H,17,20)
InChIKeyFBYGNEAXKZFWJQ-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.43
Rot. Bonds3

About N-cyclopentyl-3-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide

N-cyclopentyl-3-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide (PubChem CID 46271707) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-cyclopentyl-3-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-3-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
PubChem CID46271707
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-cyclopentyl-3-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
SMILESCC1C(=O)Nc2ccc(S(=O)(=O)NC3CCCC3)cc2NC1=O
InChIInChI=1S/C15H19N3O4S/c1-9-14(19)16-12-7-6-11(8-13(12)17-15(9)20)23(21,22)18-10-4-2-3-5-10/h6-10,18H,2-5H2,1H3,(H,16,19)(H,17,20)
InChIKeyFBYGNEAXKZFWJQ-UHFFFAOYSA-N
XLogP1.43
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(4-methylcyclohexyl)-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
CID 126457205
N-cyclohexyl-2,3-dioxo-1H-indole-5-sulfonamide
CID 5115250
N-cyclooctyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 20927826
N-cycloheptyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 20858702
3-methyl-2,4-dioxo-N-[4-(trifluoromethyl)phenyl]-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
CID 22516538
(3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9185975
N-(4-bromo-3-methylphenyl)-3-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
CID 22516477
N-cyclooctyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 22550000
N-cyclooctyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 39886497
N-cycloheptyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8777926
N-[2-(4-chlorophenyl)ethyl]-3-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
CID 22516487
N-cyclohexyl-3,4-difluorobenzenesulfonamide
CID 19681091

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide?
The IUPAC name of N-cyclopentyl-3-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide (CID 46271707) is N-cyclopentyl-3-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide.
What is the SMILES notation for N-cyclopentyl-3-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide?
The canonical SMILES for N-cyclopentyl-3-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide is CC1C(=O)Nc2ccc(S(=O)(=O)NC3CCCC3)cc2NC1=O.
What is the InChIKey of N-cyclopentyl-3-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide?
The InChIKey is FBYGNEAXKZFWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-9-14(19)16-12-7-6-11(8-13(12)17-15(9)20)23(21,22)18-10-4-2-3-5-10/h6-10,18H,2-5H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-cyclopentyl-3-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide?
N-cyclopentyl-3-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide has a molecular weight of 337.40 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide is sourced from PubChem (CID 46271707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).