2-[(2-methoxy-5-nitrophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide

C22H21N3O6S — CID 24502128

IUPAC2-[(2-methoxy-5-nitrophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C22H21N3O6S/c1-15-7-9-16(10-8-15)14-23-22(26)18-5-3-4-6-19(18)24-32(29,30)21-13-17(25(27)28)11-12-20(21)31-2/h3-13,24H,14H2,1-2H3,(H,23,26)
InChIKeyBEWGPEPFMIXBJQ-UHFFFAOYSA-N
MW455.49 g/mol
LogP3.64
Rot. Bonds8

About 2-[(2-methoxy-5-nitrophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide

2-[(2-methoxy-5-nitrophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 24502128) has the molecular formula C22H21N3O6S and a molecular weight of 455.49 g/mol. Its IUPAC name is 2-[(2-methoxy-5-nitrophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[(2-methoxy-5-nitrophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide
PubChem CID24502128
Molecular FormulaC22H21N3O6S
Molecular Weight455.49 g/mol
Exact Mass455.12
IUPAC Name2-[(2-methoxy-5-nitrophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C22H21N3O6S/c1-15-7-9-16(10-8-15)14-23-22(26)18-5-3-4-6-19(18)24-32(29,30)21-13-17(25(27)28)11-12-20(21)31-2/h3-13,24H,14H2,1-2H3,(H,23,26)
InChIKeyBEWGPEPFMIXBJQ-UHFFFAOYSA-N
XLogP3.64
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 53.64
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

N-[(4-methylphenyl)methyl]-2-[(4-nitrophenyl)sulfonylamino]benzamide
CID 17319797
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
2-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3627288
2-[(2-methyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 40690037
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methoxy-5-nitrophenyl)sulfonylamino]benzamide
CID 24502130
N-[(3-methoxyphenyl)methyl]-2-[(3-nitrophenyl)sulfonylamino]benzamide
CID 26549411
2-(benzylamino)-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 9186751
N-benzyl-2-[[2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetyl]amino]benzamide
CID 2301794
N'-(2-methoxy-5-nitrophenyl)sulfonyl-4-methylbenzohydrazide
CID 8823128
N-[2-(difluoromethoxy)phenyl]-2-methoxy-5-nitrobenzenesulfonamide
CID 8822909
2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 24510149
2-methoxy-5-nitro-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide
CID 18141956

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-nitrophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 2-[(2-methoxy-5-nitrophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide (CID 24502128) is 2-[(2-methoxy-5-nitrophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2-[(2-methoxy-5-nitrophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 2-[(2-methoxy-5-nitrophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide is COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1.
What is the InChIKey of 2-[(2-methoxy-5-nitrophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is BEWGPEPFMIXBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O6S/c1-15-7-9-16(10-8-15)14-23-22(26)18-5-3-4-6-19(18)24-32(29,30)21-13-17(25(27)28)11-12-20(21)31-2/h3-13,24H,14H2,1-2H3,(H,23,26).
What are the key properties of 2-[(2-methoxy-5-nitrophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide?
2-[(2-methoxy-5-nitrophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 455.49 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-nitrophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 24502128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).