4-fluoro-3-nitro-N-thiophen-2-ylsulfanylaniline

C10H7FN2O2S2 — CID 143022447

IUPAC4-fluoro-3-nitro-N-thiophen-2-ylsulfanylaniline
SMILESO=[N+]([O-])c1cc(NSc2cccs2)ccc1F
InChIInChI=1S/C10H7FN2O2S2/c11-8-4-3-7(6-9(8)13(14)15)12-17-10-2-1-5-16-10/h1-6,12H
InChIKeyWNNSVZUYQQRTSC-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.91
Rot. Bonds4

About 4-fluoro-3-nitro-N-thiophen-2-ylsulfanylaniline

4-fluoro-3-nitro-N-thiophen-2-ylsulfanylaniline (PubChem CID 143022447) has the molecular formula C10H7FN2O2S2 and a molecular weight of 270.31 g/mol. Its IUPAC name is 4-fluoro-3-nitro-N-thiophen-2-ylsulfanylaniline.

Molecular Properties

Compound Name4-fluoro-3-nitro-N-thiophen-2-ylsulfanylaniline
PubChem CID143022447
Molecular FormulaC10H7FN2O2S2
Molecular Weight270.31 g/mol
Exact Mass269.99
IUPAC Name4-fluoro-3-nitro-N-thiophen-2-ylsulfanylaniline
SMILESO=[N+]([O-])c1cc(NSc2cccs2)ccc1F
InChIInChI=1S/C10H7FN2O2S2/c11-8-4-3-7(6-9(8)13(14)15)12-17-10-2-1-5-16-10/h1-6,12H
InChIKeyWNNSVZUYQQRTSC-UHFFFAOYSA-N
XLogP3.91
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.91
H-Bond Donors ≤ 51
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'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluoro-3-nitrophenyl)thiophene-2-sulfonamide
CID 8501150
4-fluoro-N-methyl-3-nitroaniline
CID 63089505
2-(4-fluoro-3-nitroanilino)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 31667761
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
4-fluoro-N-methoxy-3-nitroaniline
CID 154020303
[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate
CID 46695161
4-fluoro-3-nitro-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657018
N-(4-fluoro-3-nitrophenyl)-N-methylthiophene-2-sulfonamide;N-(4-fluoro-3-nitrophenyl)thiophene-2-sulfonamide
CID 157226831
N-(4-fluoro-3-nitrophenyl)benzenesulfonamide
CID 4599069
1,4-difluoro-2,5-dinitrobenzene
CID 14951568
4-fluoro-N-(3-methylsulfanylpropyl)-3-nitroaniline
CID 43719223
N-(4-fluoro-3-nitrophenyl)thian-4-amine
CID 43719372

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-nitro-N-thiophen-2-ylsulfanylaniline?
The IUPAC name of 4-fluoro-3-nitro-N-thiophen-2-ylsulfanylaniline (CID 143022447) is 4-fluoro-3-nitro-N-thiophen-2-ylsulfanylaniline.
What is the SMILES notation for 4-fluoro-3-nitro-N-thiophen-2-ylsulfanylaniline?
The canonical SMILES for 4-fluoro-3-nitro-N-thiophen-2-ylsulfanylaniline is O=[N+]([O-])c1cc(NSc2cccs2)ccc1F.
What is the InChIKey of 4-fluoro-3-nitro-N-thiophen-2-ylsulfanylaniline?
The InChIKey is WNNSVZUYQQRTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2S2/c11-8-4-3-7(6-9(8)13(14)15)12-17-10-2-1-5-16-10/h1-6,12H.
What are the key properties of 4-fluoro-3-nitro-N-thiophen-2-ylsulfanylaniline?
4-fluoro-3-nitro-N-thiophen-2-ylsulfanylaniline has a molecular weight of 270.31 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-nitro-N-thiophen-2-ylsulfanylaniline is sourced from PubChem (CID 143022447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).