N-(1,1-dioxothiolan-3-yl)-4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-methylbenzamide

C19H21N3O8S2 — CID 24679445

IUPACN-(1,1-dioxothiolan-3-yl)-4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-methylbenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)N(C)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C19H21N3O8S2/c1-21(15-9-10-31(26,27)12-15)19(23)13-3-6-16(7-4-13)32(28,29)20-17-11-14(22(24)25)5-8-18(17)30-2/h3-8,11,15,20H,9-10,12H2,1-2H3
InChIKeyUODRHLMKGLGBHZ-UHFFFAOYSA-N
MW483.52 g/mol
LogP1.66
Rot. Bonds7

About N-(1,1-dioxothiolan-3-yl)-4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-methylbenzamide

N-(1,1-dioxothiolan-3-yl)-4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-methylbenzamide (PubChem CID 24679445) has the molecular formula C19H21N3O8S2 and a molecular weight of 483.52 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-methylbenzamide
PubChem CID24679445
Molecular FormulaC19H21N3O8S2
Molecular Weight483.52 g/mol
Exact Mass483.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-methylbenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)N(C)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C19H21N3O8S2/c1-21(15-9-10-31(26,27)12-15)19(23)13-3-6-16(7-4-13)32(28,29)20-17-11-14(22(24)25)5-8-18(17)30-2/h3-8,11,15,20H,9-10,12H2,1-2H3
InChIKeyUODRHLMKGLGBHZ-UHFFFAOYSA-N
XLogP1.66
TPSA152.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(1,1-dioxothiolan-3-yl)-4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-methylbenzamide 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

N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-4-nitrobenzamide
CID 7064223
N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dimethoxy-N-methylbenzamide
CID 7259607
1-[4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide
CID 43002026
N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 798871
N-(2-methoxy-5-nitrophenyl)-4-methylsulfonylbenzenesulfonamide
CID 39392767
1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
N-(cyclohexylmethyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide
CID 2687868
N-(1,1-dioxothiolan-3-yl)-2-(2-methoxy-5-nitroanilino)-N-phenylacetamide
CID 45354865
N-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide
CID 3300221
N-(1,1-dioxothiolan-3-yl)-3,5-dimethoxy-N-methylbenzamide
CID 16822492
3-(2-chloro-5-nitrophenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-1-methylthiourea
CID 7504102
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide
CID 30858576

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-methylbenzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-methylbenzamide (CID 24679445) is N-(1,1-dioxothiolan-3-yl)-4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-methylbenzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-methylbenzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-methylbenzamide is COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)N(C)C2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-methylbenzamide?
The InChIKey is UODRHLMKGLGBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O8S2/c1-21(15-9-10-31(26,27)12-15)19(23)13-3-6-16(7-4-13)32(28,29)20-17-11-14(22(24)25)5-8-18(17)30-2/h3-8,11,15,20H,9-10,12H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-methylbenzamide?
N-(1,1-dioxothiolan-3-yl)-4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-methylbenzamide has a molecular weight of 483.52 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 24679445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).