N-(3,5-dimethylphenyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide

C22H21N3O6S — CID 26696362

IUPACN-(3,5-dimethylphenyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C22H21N3O6S/c1-14-9-15(2)11-17(10-14)23-22(26)16-5-4-6-19(12-16)32(29,30)24-20-13-18(25(27)28)7-8-21(20)31-3/h4-13,24H,1-3H3,(H,23,26)
InChIKeyIVLUUKIOVVFROS-UHFFFAOYSA-N
MW455.49 g/mol
LogP4.27
Rot. Bonds7

About N-(3,5-dimethylphenyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide

N-(3,5-dimethylphenyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide (PubChem CID 26696362) has the molecular formula C22H21N3O6S and a molecular weight of 455.49 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide
PubChem CID26696362
Molecular FormulaC22H21N3O6S
Molecular Weight455.49 g/mol
Exact Mass455.12
IUPAC NameN-(3,5-dimethylphenyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C22H21N3O6S/c1-14-9-15(2)11-17(10-14)23-22(26)16-5-4-6-19(12-16)32(29,30)24-20-13-18(25(27)28)7-8-21(20)31-3/h4-13,24H,1-3H3,(H,23,26)
InChIKeyIVLUUKIOVVFROS-UHFFFAOYSA-N
XLogP4.27
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(benzenesulfonamido)-N-(2-methoxy-5-nitrophenyl)benzamide
CID 19062366
N-(cyclohexylmethyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide
CID 2687868
N-[5-[(2-methoxy-5-nitrophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 100678105
N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 798871
(1-amino-1-oxopropan-2-yl) 3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoate
CID 4853346
N-(2-methoxy-5-nitrophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 1251026
N-[2-(3-chlorophenyl)ethyl]-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide
CID 39731277
N-(3,5-dimethylphenyl)-3-nitrobenzamide
CID 710720
3-cyano-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 7938488
3-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 4965232
N-(2,5-dimethoxyphenyl)-3-nitrobenzenesulfonamide
CID 2885763
[2-(2-methyl-5-nitroanilino)-2-oxoethyl] 3-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 42969801

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide (CID 26696362) is N-(3,5-dimethylphenyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide is COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)Nc2cc(C)cc(C)c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide?
The InChIKey is IVLUUKIOVVFROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O6S/c1-14-9-15(2)11-17(10-14)23-22(26)16-5-4-6-19(12-16)32(29,30)24-20-13-18(25(27)28)7-8-21(20)31-3/h4-13,24H,1-3H3,(H,23,26).
What are the key properties of N-(3,5-dimethylphenyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide?
N-(3,5-dimethylphenyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide has a molecular weight of 455.49 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 26696362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).