5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]benzamide

C19H22FN3O5S — CID 39142258

IUPAC5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C19H22FN3O5S/c1-4-22(5-2)29(27,28)15-10-11-17(20)16(12-15)19(24)21(3)13-14-8-6-7-9-18(14)23(25)26/h6-12H,4-5,13H2,1-3H3
InChIKeyDZXJRMUGAHHCDA-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.04
Rot. Bonds8

About 5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]benzamide

5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]benzamide (PubChem CID 39142258) has the molecular formula C19H22FN3O5S and a molecular weight of 423.47 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]benzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]benzamide
PubChem CID39142258
Molecular FormulaC19H22FN3O5S
Molecular Weight423.47 g/mol
Exact Mass423.13
IUPAC Name5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C19H22FN3O5S/c1-4-22(5-2)29(27,28)15-10-11-17(20)16(12-15)19(24)21(3)13-14-8-6-7-9-18(14)23(25)26/h6-12H,4-5,13H2,1-3H3
InChIKeyDZXJRMUGAHHCDA-UHFFFAOYSA-N
XLogP3.04
TPSA100.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.04
H-Bond Donors ≤ 50
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

5-(diethylsulfamoyl)-2-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 17411092
2-chloro-5-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 31138592
N-methyl-2-nitro-N-[(2-nitrophenyl)methyl]benzamide
CID 46413108
3-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide
CID 115645822
N-benzyl-2-fluoro-N-methyl-5-nitrobenzamide
CID 43377488
(2-nitrophenyl)methyl 5-(diethylsulfamoyl)-2-methylbenzoate
CID 7901653
5-(diethylsulfamoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 34976198
5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-(1-phenylethyl)benzamide
CID 51188228
N-(1,3-benzothiazol-2-yl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide
CID 34255200
4-ethyl-N-methyl-N-[(2-nitrophenyl)methyl]-5-propylthiophene-2-carboxamide
CID 112819464
(4-methoxy-2-nitrophenyl) 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 55340511
7-fluoro-N,2-dimethyl-N-[(2-nitrophenyl)methyl]quinoline-4-carboxamide
CID 46687409

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]benzamide?
The IUPAC name of 5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]benzamide (CID 39142258) is 5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]benzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]benzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of 5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]benzamide?
The InChIKey is DZXJRMUGAHHCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O5S/c1-4-22(5-2)29(27,28)15-10-11-17(20)16(12-15)19(24)21(3)13-14-8-6-7-9-18(14)23(25)26/h6-12H,4-5,13H2,1-3H3.
What are the key properties of 5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]benzamide?
5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]benzamide has a molecular weight of 423.47 g/mol, XLogP of 3.04, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]benzamide is sourced from PubChem (CID 39142258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).