N-(2,5-dimethylphenyl)-2-[(2-methyl-5-nitrophenyl)sulfonylamino]benzamide

C22H21N3O5S — CID 2944628

IUPACN-(2,5-dimethylphenyl)-2-[(2-methyl-5-nitrophenyl)sulfonylamino]benzamide
SMILESCc1ccc(C)c(NC(=O)c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1
InChIInChI=1S/C22H21N3O5S/c1-14-8-9-15(2)20(12-14)23-22(26)18-6-4-5-7-19(18)24-31(29,30)21-13-17(25(27)28)11-10-16(21)3/h4-13,24H,1-3H3,(H,23,26)
InChIKeyMENIIXYXSODVSN-UHFFFAOYSA-N
MW439.49 g/mol
LogP4.57
Rot. Bonds6

About N-(2,5-dimethylphenyl)-2-[(2-methyl-5-nitrophenyl)sulfonylamino]benzamide

N-(2,5-dimethylphenyl)-2-[(2-methyl-5-nitrophenyl)sulfonylamino]benzamide (PubChem CID 2944628) has the molecular formula C22H21N3O5S and a molecular weight of 439.49 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[(2-methyl-5-nitrophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[(2-methyl-5-nitrophenyl)sulfonylamino]benzamide
PubChem CID2944628
Molecular FormulaC22H21N3O5S
Molecular Weight439.49 g/mol
Exact Mass439.12
IUPAC NameN-(2,5-dimethylphenyl)-2-[(2-methyl-5-nitrophenyl)sulfonylamino]benzamide
SMILESCc1ccc(C)c(NC(=O)c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1
InChIInChI=1S/C22H21N3O5S/c1-14-8-9-15(2)20(12-14)23-22(26)18-6-4-5-7-19(18)24-31(29,30)21-13-17(25(27)28)11-10-16(21)3/h4-13,24H,1-3H3,(H,23,26)
InChIKeyMENIIXYXSODVSN-UHFFFAOYSA-N
XLogP4.57
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

RN-9893
CID 121513880
N-(2-methylphenyl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1006749
4-methyl-3-{[(4-methylphenyl)amino]sulfonyl}-N-(3-nitrophenyl)benzamide
CID 1243076
N-[3-(aminosulfonyl)phenyl]-3-nitrobenzamide
CID 2885800
N-(2,4-dimethylphenyl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1006706
N-[4-(benzylsulfamoyl)phenyl]-2-nitrobenzamide
CID 1303801
N-[2-(aminocarbonyl)phenyl]-2-[(2-nitrophenyl)sulfonyl]benzamide
CID 2191770
3-({[4-(benzoylamino)phenyl]amino}sulfonyl)-4-methyl-N-(3-nitrophenyl)benzamide
CID 2250487
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-nitrobenzamide
CID 8100177
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 24818060
2-[(3-nitrobenzoyl)amino]-N-(4-propylphenyl)benzamide
CID 137651096
4-phenyl-N-(1,1,3-trioxo-1,2-benzothiazol-4-yl)benzamide
CID 155526288

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[(2-methyl-5-nitrophenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[(2-methyl-5-nitrophenyl)sulfonylamino]benzamide (CID 2944628) is N-(2,5-dimethylphenyl)-2-[(2-methyl-5-nitrophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[(2-methyl-5-nitrophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[(2-methyl-5-nitrophenyl)sulfonylamino]benzamide is Cc1ccc(C)c(NC(=O)c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[(2-methyl-5-nitrophenyl)sulfonylamino]benzamide?
The InChIKey is MENIIXYXSODVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5S/c1-14-8-9-15(2)20(12-14)23-22(26)18-6-4-5-7-19(18)24-31(29,30)21-13-17(25(27)28)11-10-16(21)3/h4-13,24H,1-3H3,(H,23,26).
What are the key properties of N-(2,5-dimethylphenyl)-2-[(2-methyl-5-nitrophenyl)sulfonylamino]benzamide?
N-(2,5-dimethylphenyl)-2-[(2-methyl-5-nitrophenyl)sulfonylamino]benzamide has a molecular weight of 439.49 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[(2-methyl-5-nitrophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 2944628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).