4-fluoro-3-nitro-N-sulfanylbenzamide

C7H5FN2O3S — CID 142948721

IUPAC4-fluoro-3-nitro-N-sulfanylbenzamide
SMILESO=C(NS)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C7H5FN2O3S/c8-5-2-1-4(7(11)9-14)3-6(5)10(12)13/h1-3,14H,(H,9,11)
InChIKeyJVWDJQAVSCXUFX-UHFFFAOYSA-N
MW216.19 g/mol
LogP1.31
Rot. Bonds2

About 4-fluoro-3-nitro-N-sulfanylbenzamide

4-fluoro-3-nitro-N-sulfanylbenzamide (PubChem CID 142948721) has the molecular formula C7H5FN2O3S and a molecular weight of 216.19 g/mol. Its IUPAC name is 4-fluoro-3-nitro-N-sulfanylbenzamide.

Molecular Properties

Compound Name4-fluoro-3-nitro-N-sulfanylbenzamide
PubChem CID142948721
Molecular FormulaC7H5FN2O3S
Molecular Weight216.19 g/mol
Exact Mass216.00
IUPAC Name4-fluoro-3-nitro-N-sulfanylbenzamide
SMILESO=C(NS)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C7H5FN2O3S/c8-5-2-1-4(7(11)9-14)3-6(5)10(12)13/h1-3,14H,(H,9,11)
InChIKeyJVWDJQAVSCXUFX-UHFFFAOYSA-N
XLogP1.31
TPSA72.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 51.31
H-Bond Donors ≤ 52
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-methylsulfonyl-3-nitrobenzamide
CID 153492334
4-fluoro-3-nitro-N-pyrrol-1-ylbenzamide
CID 79100073
4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-nitrobenzamide
CID 106180498
N-(3,5-dichlorophenyl)-4-fluoro-3-nitrobenzamide
CID 43215672
methyl 4-fluoro-3-nitrobenzoate
CID 5219721
N-(cyanomethyl)-4-fluoro-3-nitrobenzamide
CID 61249673
N-(2,5-dimethylpyrrol-1-yl)-4-fluoro-3-nitrobenzamide
CID 79101237
N-(cyclopropylmethyl)-4-fluoro-3-nitrobenzamide
CID 43244057
4-[(4-fluoro-3-nitrobenzoyl)amino]-2-hydroxybutanoic acid
CID 107831774
4-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)-3-nitrobenzamide
CID 113293753
4-fluoro-N-(1-methylsulfanylpropan-2-yl)-3-nitrobenzamide
CID 113238450
N-(4-bromo-2-fluorophenyl)-4-fluoro-3-nitrobenzamide
CID 43215688

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-nitro-N-sulfanylbenzamide?
The IUPAC name of 4-fluoro-3-nitro-N-sulfanylbenzamide (CID 142948721) is 4-fluoro-3-nitro-N-sulfanylbenzamide.
What is the SMILES notation for 4-fluoro-3-nitro-N-sulfanylbenzamide?
The canonical SMILES for 4-fluoro-3-nitro-N-sulfanylbenzamide is O=C(NS)c1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 4-fluoro-3-nitro-N-sulfanylbenzamide?
The InChIKey is JVWDJQAVSCXUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2O3S/c8-5-2-1-4(7(11)9-14)3-6(5)10(12)13/h1-3,14H,(H,9,11).
What are the key properties of 4-fluoro-3-nitro-N-sulfanylbenzamide?
4-fluoro-3-nitro-N-sulfanylbenzamide has a molecular weight of 216.19 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-nitro-N-sulfanylbenzamide is sourced from PubChem (CID 142948721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).