3-methyl-N-(4-methylcyclohexyl)-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide

C17H23N3O4S — CID 126457205

IUPAC3-methyl-N-(4-methylcyclohexyl)-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc3c(c2)NC(=O)C(C)C(=O)N3)CC1
InChIInChI=1S/C17H23N3O4S/c1-10-3-5-12(6-4-10)20-25(23,24)13-7-8-14-15(9-13)19-17(22)11(2)16(21)18-14/h7-12,20H,3-6H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyLVNQVLHQJDPXHK-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.07
Rot. Bonds3

About 3-methyl-N-(4-methylcyclohexyl)-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide

3-methyl-N-(4-methylcyclohexyl)-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide (PubChem CID 126457205) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 3-methyl-N-(4-methylcyclohexyl)-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-(4-methylcyclohexyl)-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
PubChem CID126457205
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name3-methyl-N-(4-methylcyclohexyl)-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc3c(c2)NC(=O)C(C)C(=O)N3)CC1
InChIInChI=1S/C17H23N3O4S/c1-10-3-5-12(6-4-10)20-25(23,24)13-7-8-14-15(9-13)19-17(22)11(2)16(21)18-14/h7-12,20H,3-6H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyLVNQVLHQJDPXHK-UHFFFAOYSA-N
XLogP2.07
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.07
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

N-cyclopentyl-3-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
CID 46271707
N-(4-methylcyclohexyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
CID 50760174
(3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9185975
(2R)-2-(azepane-1-carbonyl)-N-(4-methylcyclohexyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 95085289
4-amino-3-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide
CID 82843999
3-methyl-2,4-dioxo-N-[4-(trifluoromethyl)phenyl]-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
CID 22516538
N-(4-bromo-3-methylphenyl)-3-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
CID 22516477
N-cyclooctyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 20927826
N-[(2-chlorophenyl)methyl]-3-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
CID 22516485
N-[2-(4-chlorophenyl)ethyl]-3-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
CID 22516487
2-chloro-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43082280
N-(3-methylcyclopentyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 114548153

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylcyclohexyl)-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide?
The IUPAC name of 3-methyl-N-(4-methylcyclohexyl)-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide (CID 126457205) is 3-methyl-N-(4-methylcyclohexyl)-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide.
What is the SMILES notation for 3-methyl-N-(4-methylcyclohexyl)-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide?
The canonical SMILES for 3-methyl-N-(4-methylcyclohexyl)-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide is CC1CCC(NS(=O)(=O)c2ccc3c(c2)NC(=O)C(C)C(=O)N3)CC1.
What is the InChIKey of 3-methyl-N-(4-methylcyclohexyl)-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide?
The InChIKey is LVNQVLHQJDPXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-10-3-5-12(6-4-10)20-25(23,24)13-7-8-14-15(9-13)19-17(22)11(2)16(21)18-14/h7-12,20H,3-6H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 3-methyl-N-(4-methylcyclohexyl)-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide?
3-methyl-N-(4-methylcyclohexyl)-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide has a molecular weight of 365.46 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylcyclohexyl)-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide is sourced from PubChem (CID 126457205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).