N-(3-ethyl-3-methyl-2,5-dioxo-1,4-dihydro-1,4-benzodiazepin-7-yl)benzenesulfonamide

C18H19N3O4S — CID 71602375

IUPACN-(3-ethyl-3-methyl-2,5-dioxo-1,4-dihydro-1,4-benzodiazepin-7-yl)benzenesulfonamide
SMILESCCC1(C)NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2NC1=O
InChIInChI=1S/C18H19N3O4S/c1-3-18(2)17(23)19-15-10-9-12(11-14(15)16(22)20-18)21-26(24,25)13-7-5-4-6-8-13/h4-11,21H,3H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyPNKQJHSWMZYLJY-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.34
Rot. Bonds4

About N-(3-ethyl-3-methyl-2,5-dioxo-1,4-dihydro-1,4-benzodiazepin-7-yl)benzenesulfonamide

N-(3-ethyl-3-methyl-2,5-dioxo-1,4-dihydro-1,4-benzodiazepin-7-yl)benzenesulfonamide (PubChem CID 71602375) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-(3-ethyl-3-methyl-2,5-dioxo-1,4-dihydro-1,4-benzodiazepin-7-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethyl-3-methyl-2,5-dioxo-1,4-dihydro-1,4-benzodiazepin-7-yl)benzenesulfonamide
PubChem CID71602375
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-(3-ethyl-3-methyl-2,5-dioxo-1,4-dihydro-1,4-benzodiazepin-7-yl)benzenesulfonamide
SMILESCCC1(C)NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2NC1=O
InChIInChI=1S/C18H19N3O4S/c1-3-18(2)17(23)19-15-10-9-12(11-14(15)16(22)20-18)21-26(24,25)13-7-5-4-6-8-13/h4-11,21H,3H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyPNKQJHSWMZYLJY-UHFFFAOYSA-N
XLogP2.34
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(3-ethyl-3-methyl-2,5-dioxo-1,4-dihydro-1,4-benzodiazepin-7-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-3-methyl-2,5-dioxo-N-[4-(trifluoromethyl)phenyl]-1,4-dihydro-1,4-benzodiazepine-7-sulfonamide
CID 71603096
N-(2,4-difluorophenyl)-3-ethyl-3-methyl-2,5-dioxo-1,4-dihydro-1,4-benzodiazepine-7-sulfonamide
CID 71603149
ethyl 7-(benzenesulfonamido)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxylate
CID 91938313
N-[(4Z)-4-(methoxymethylidene)-1,3-dioxoisoquinolin-6-yl]benzenesulfonamide
CID 143496898
N-[4-[2-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]benzenesulfonamide
CID 171390330
N-[4-[(2E)-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)acetyl]phenyl]benzenesulfonamide
CID 171390327
4-(benzenesulfonamido)-N-ethylbenzenesulfonamide
CID 2230301
N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-4-fluorobenzenesulfonamide
CID 40957298
N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
CID 43604199
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
N-(3-propylphenyl)benzenesulfonamide
CID 71064838
(3S)-3-methyl-3-(2-methylpropyl)-1,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 71307997

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-3-methyl-2,5-dioxo-1,4-dihydro-1,4-benzodiazepin-7-yl)benzenesulfonamide?
The IUPAC name of N-(3-ethyl-3-methyl-2,5-dioxo-1,4-dihydro-1,4-benzodiazepin-7-yl)benzenesulfonamide (CID 71602375) is N-(3-ethyl-3-methyl-2,5-dioxo-1,4-dihydro-1,4-benzodiazepin-7-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-ethyl-3-methyl-2,5-dioxo-1,4-dihydro-1,4-benzodiazepin-7-yl)benzenesulfonamide?
The canonical SMILES for N-(3-ethyl-3-methyl-2,5-dioxo-1,4-dihydro-1,4-benzodiazepin-7-yl)benzenesulfonamide is CCC1(C)NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2NC1=O.
What is the InChIKey of N-(3-ethyl-3-methyl-2,5-dioxo-1,4-dihydro-1,4-benzodiazepin-7-yl)benzenesulfonamide?
The InChIKey is PNKQJHSWMZYLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-3-18(2)17(23)19-15-10-9-12(11-14(15)16(22)20-18)21-26(24,25)13-7-5-4-6-8-13/h4-11,21H,3H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of N-(3-ethyl-3-methyl-2,5-dioxo-1,4-dihydro-1,4-benzodiazepin-7-yl)benzenesulfonamide?
N-(3-ethyl-3-methyl-2,5-dioxo-1,4-dihydro-1,4-benzodiazepin-7-yl)benzenesulfonamide has a molecular weight of 373.43 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-3-methyl-2,5-dioxo-1,4-dihydro-1,4-benzodiazepin-7-yl)benzenesulfonamide is sourced from PubChem (CID 71602375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).