N-(2,4-dimethoxyphenyl)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]benzamide

C21H18FN3O7S — CID 71346608

IUPACN-(2,4-dimethoxyphenyl)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)c(OC)c1
InChIInChI=1S/C21H18FN3O7S/c1-31-13-7-10-18(20(11-13)32-2)23-21(26)15-5-3-4-6-17(15)24-33(29,30)14-8-9-16(22)19(12-14)25(27)28/h3-12,24H,1-2H3,(H,23,26)
InChIKeyVOLUKWPTLMRKTC-UHFFFAOYSA-N
MW475.45 g/mol
LogP3.80
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]benzamide

N-(2,4-dimethoxyphenyl)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]benzamide (PubChem CID 71346608) has the molecular formula C21H18FN3O7S and a molecular weight of 475.45 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]benzamide
PubChem CID71346608
Molecular FormulaC21H18FN3O7S
Molecular Weight475.45 g/mol
Exact Mass475.08
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)c(OC)c1
InChIInChI=1S/C21H18FN3O7S/c1-31-13-7-10-18(20(11-13)32-2)23-21(26)15-5-3-4-6-17(15)24-33(29,30)14-8-9-16(22)19(12-14)25(27)28/h3-12,24H,1-2H3,(H,23,26)
InChIKeyVOLUKWPTLMRKTC-UHFFFAOYSA-N
XLogP3.80
TPSA136.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.45
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[(3,4-difluorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide
CID 2374439
2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxy-4-nitrophenyl)benzamide
CID 18575745
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide
CID 2683748
2,4-dichloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18893144
N-(2,4-dimethoxyphenyl)-2-(propan-2-ylsulfonylamino)benzamide
CID 71346631
2-(benzenesulfonamido)-N-(2,5-dimethoxyphenyl)benzamide
CID 4233924
2-chloro-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892982
N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 1289212
2,4-dimethoxy-N-(2-nitrophenyl)benzamide
CID 5149681
N-(2,4-dimethoxyphenyl)-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzamide
CID 71346601
2-chloro-N-[2-fluoro-4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 18892974
2-[(3,4-difluorophenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 2374730

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]benzamide (CID 71346608) is N-(2,4-dimethoxyphenyl)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]benzamide is COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]benzamide?
The InChIKey is VOLUKWPTLMRKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O7S/c1-31-13-7-10-18(20(11-13)32-2)23-21(26)15-5-3-4-6-17(15)24-33(29,30)14-8-9-16(22)19(12-14)25(27)28/h3-12,24H,1-2H3,(H,23,26).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]benzamide?
N-(2,4-dimethoxyphenyl)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]benzamide has a molecular weight of 475.45 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 71346608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).