N-(2,4-difluorophenyl)-3-(4-nitrophenyl)sulfanylbenzamide

C19H12F2N2O3S — CID 70867918

IUPACN-(2,4-difluorophenyl)-3-(4-nitrophenyl)sulfanylbenzamide
SMILESO=C(Nc1ccc(F)cc1F)c1cccc(Sc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H12F2N2O3S/c20-13-4-9-18(17(21)11-13)22-19(24)12-2-1-3-16(10-12)27-15-7-5-14(6-8-15)23(25)26/h1-11H,(H,22,24)
InChIKeyLWOJHKLWOGMUGK-UHFFFAOYSA-N
MW386.38 g/mol
LogP5.28
Rot. Bonds5

About N-(2,4-difluorophenyl)-3-(4-nitrophenyl)sulfanylbenzamide

N-(2,4-difluorophenyl)-3-(4-nitrophenyl)sulfanylbenzamide (PubChem CID 70867918) has the molecular formula C19H12F2N2O3S and a molecular weight of 386.38 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-(4-nitrophenyl)sulfanylbenzamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-(4-nitrophenyl)sulfanylbenzamide
PubChem CID70867918
Molecular FormulaC19H12F2N2O3S
Molecular Weight386.38 g/mol
Exact Mass386.05
IUPAC NameN-(2,4-difluorophenyl)-3-(4-nitrophenyl)sulfanylbenzamide
SMILESO=C(Nc1ccc(F)cc1F)c1cccc(Sc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H12F2N2O3S/c20-13-4-9-18(17(21)11-13)22-19(24)12-2-1-3-16(10-12)27-15-7-5-14(6-8-15)23(25)26/h1-11H,(H,22,24)
InChIKeyLWOJHKLWOGMUGK-UHFFFAOYSA-N
XLogP5.28
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.38
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-chloro-2-fluorophenyl)-4-nitrobenzamide
CID 4173118
2-chloro-N-(2,4-difluorophenyl)-5-nitrobenzamide
CID 776265
N-(5-fluoro-2-hydroxyphenyl)-3-nitrobenzamide
CID 90714767
1-N-(2-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109057784
4-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methylbenzamide
CID 115745847
2-chloro-N-(2,4-difluorophenyl)-4-nitrobenzamide
CID 773721
3-N-(2,4-difluorophenyl)-1-N-(3-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057757
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
3-chloro-N-(2-fluoro-4-nitrophenyl)-4-iodobenzamide
CID 103738031
N-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide
CID 26158826
1-N,3-N-bis(2,4-dinitrophenyl)benzene-1,3-dicarboxamide
CID 628714
1-N-(3-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109057785

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-(4-nitrophenyl)sulfanylbenzamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-(4-nitrophenyl)sulfanylbenzamide (CID 70867918) is N-(2,4-difluorophenyl)-3-(4-nitrophenyl)sulfanylbenzamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-(4-nitrophenyl)sulfanylbenzamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-(4-nitrophenyl)sulfanylbenzamide is O=C(Nc1ccc(F)cc1F)c1cccc(Sc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-3-(4-nitrophenyl)sulfanylbenzamide?
The InChIKey is LWOJHKLWOGMUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N2O3S/c20-13-4-9-18(17(21)11-13)22-19(24)12-2-1-3-16(10-12)27-15-7-5-14(6-8-15)23(25)26/h1-11H,(H,22,24).
What are the key properties of N-(2,4-difluorophenyl)-3-(4-nitrophenyl)sulfanylbenzamide?
N-(2,4-difluorophenyl)-3-(4-nitrophenyl)sulfanylbenzamide has a molecular weight of 386.38 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-(4-nitrophenyl)sulfanylbenzamide is sourced from PubChem (CID 70867918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).