N-[2-(difluoromethylsulfanyl)phenyl]-2-nitrobenzamide

C14H10F2N2O3S — CID 16549753

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-2-nitrobenzamide
SMILESO=C(Nc1ccccc1SC(F)F)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H10F2N2O3S/c15-14(16)22-12-8-4-2-6-10(12)17-13(19)9-5-1-3-7-11(9)18(20)21/h1-8,14H,(H,17,19)
InChIKeyWRHKYZYMMSENRW-UHFFFAOYSA-N
MW324.31 g/mol
LogP4.16
Rot. Bonds5

About N-[2-(difluoromethylsulfanyl)phenyl]-2-nitrobenzamide

N-[2-(difluoromethylsulfanyl)phenyl]-2-nitrobenzamide (PubChem CID 16549753) has the molecular formula C14H10F2N2O3S and a molecular weight of 324.31 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-2-nitrobenzamide
PubChem CID16549753
Molecular FormulaC14H10F2N2O3S
Molecular Weight324.31 g/mol
Exact Mass324.04
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-2-nitrobenzamide
SMILESO=C(Nc1ccccc1SC(F)F)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H10F2N2O3S/c15-14(16)22-12-8-4-2-6-10(12)17-13(19)9-5-1-3-7-11(9)18(20)21/h1-8,14H,(H,17,19)
InChIKeyWRHKYZYMMSENRW-UHFFFAOYSA-N
XLogP4.16
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 54.16
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

[2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid
CID 69256902
2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide
CID 15997975
N-[2-(difluoromethylsulfanyl)phenyl]-2-fluoro-3-methylbenzamide
CID 80710567
1-(difluoromethylsulfanyl)-2-nitrobenzene
CID 131851739
methyl 2-[[2-[[2-[(2-nitrobenzoyl)amino]benzoyl]amino]benzoyl]amino]benzoate
CID 12618654
N-tert-butyl-2-[(2-nitrobenzoyl)amino]benzamide
CID 4264327
2-nitro-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150872
2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(difluoromethylsulfanyl)phenyl]benzamide
CID 21179535
N-(2-methylsulfonylphenyl)-2-nitrobenzamide
CID 22245129
2-nitro-N-(2,4,5-trichlorophenyl)benzamide
CID 711434
5-amino-2-chloro-N-[2-(difluoromethylsulfanyl)phenyl]benzamide
CID 28551481
N-(2-fluoro-4-methylphenyl)-2-nitrobenzamide
CID 26522920

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-nitrobenzamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-nitrobenzamide (CID 16549753) is N-[2-(difluoromethylsulfanyl)phenyl]-2-nitrobenzamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-2-nitrobenzamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-2-nitrobenzamide is O=C(Nc1ccccc1SC(F)F)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-2-nitrobenzamide?
The InChIKey is WRHKYZYMMSENRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O3S/c15-14(16)22-12-8-4-2-6-10(12)17-13(19)9-5-1-3-7-11(9)18(20)21/h1-8,14H,(H,17,19).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-2-nitrobenzamide?
N-[2-(difluoromethylsulfanyl)phenyl]-2-nitrobenzamide has a molecular weight of 324.31 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-2-nitrobenzamide is sourced from PubChem (CID 16549753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).