N-[(3-methoxyphenyl)methyl]-2-[(3-nitrophenyl)sulfonylamino]benzamide

C21H19N3O6S — CID 26549411

IUPACN-[(3-methoxyphenyl)methyl]-2-[(3-nitrophenyl)sulfonylamino]benzamide
SMILESCOc1cccc(CNC(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C21H19N3O6S/c1-30-17-8-4-6-15(12-17)14-22-21(25)19-10-2-3-11-20(19)23-31(28,29)18-9-5-7-16(13-18)24(26)27/h2-13,23H,14H2,1H3,(H,22,25)
InChIKeySAMVFYLWQARNMR-UHFFFAOYSA-N
MW441.47 g/mol
LogP3.33
Rot. Bonds8

About N-[(3-methoxyphenyl)methyl]-2-[(3-nitrophenyl)sulfonylamino]benzamide

N-[(3-methoxyphenyl)methyl]-2-[(3-nitrophenyl)sulfonylamino]benzamide (PubChem CID 26549411) has the molecular formula C21H19N3O6S and a molecular weight of 441.47 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-[(3-nitrophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-[(3-nitrophenyl)sulfonylamino]benzamide
PubChem CID26549411
Molecular FormulaC21H19N3O6S
Molecular Weight441.47 g/mol
Exact Mass441.10
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-[(3-nitrophenyl)sulfonylamino]benzamide
SMILESCOc1cccc(CNC(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C21H19N3O6S/c1-30-17-8-4-6-15(12-17)14-22-21(25)19-10-2-3-11-20(19)23-31(28,29)18-9-5-7-16(13-18)24(26)27/h2-13,23H,14H2,1H3,(H,22,25)
InChIKeySAMVFYLWQARNMR-UHFFFAOYSA-N
XLogP3.33
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 53.33
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

2-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 2966829
N,N-bis(2-methoxyethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide
CID 55531044
2-[(3-nitrophenyl)sulfonylamino]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55964255
5-[(3,5-dichlorophenyl)sulfonylamino]-N-[(3-methoxyphenyl)methyl]naphthalene-1-carboxamide
CID 66908825
N-[(4-methylphenyl)methyl]-2-[(4-nitrophenyl)sulfonylamino]benzamide
CID 17319797
2-[(2-methoxy-5-nitrophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 24502128
N-[2-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 55362792
N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 2834884
2-[(3-nitrophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 2968335
(4-nitrophenyl)methyl 2-[(3-nitrophenyl)sulfonylamino]benzoate
CID 16595511
2-(benzenesulfonamido)-N-benzylbenzamide
CID 1320833
2-[(4-methoxybenzoyl)amino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
CID 55656448

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[(3-nitrophenyl)sulfonylamino]benzamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[(3-nitrophenyl)sulfonylamino]benzamide (CID 26549411) is N-[(3-methoxyphenyl)methyl]-2-[(3-nitrophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-[(3-nitrophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-[(3-nitrophenyl)sulfonylamino]benzamide is COc1cccc(CNC(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-[(3-nitrophenyl)sulfonylamino]benzamide?
The InChIKey is SAMVFYLWQARNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O6S/c1-30-17-8-4-6-15(12-17)14-22-21(25)19-10-2-3-11-20(19)23-31(28,29)18-9-5-7-16(13-18)24(26)27/h2-13,23H,14H2,1H3,(H,22,25).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-[(3-nitrophenyl)sulfonylamino]benzamide?
N-[(3-methoxyphenyl)methyl]-2-[(3-nitrophenyl)sulfonylamino]benzamide has a molecular weight of 441.47 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-[(3-nitrophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 26549411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).