3-fluoro-2-nitro-N-(1-thiophen-3-ylethyl)benzenesulfonamide

C12H11FN2O4S2 — CID 115992211

IUPAC3-fluoro-2-nitro-N-(1-thiophen-3-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccsc1
InChIInChI=1S/C12H11FN2O4S2/c1-8(9-5-6-20-7-9)14-21(18,19)11-4-2-3-10(13)12(11)15(16)17/h2-8,14H,1H3
InChIKeyRAZABEUIHRXICJ-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.83
Rot. Bonds5

About 3-fluoro-2-nitro-N-(1-thiophen-3-ylethyl)benzenesulfonamide

3-fluoro-2-nitro-N-(1-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 115992211) has the molecular formula C12H11FN2O4S2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 3-fluoro-2-nitro-N-(1-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-2-nitro-N-(1-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID115992211
Molecular FormulaC12H11FN2O4S2
Molecular Weight330.36 g/mol
Exact Mass330.01
IUPAC Name3-fluoro-2-nitro-N-(1-thiophen-3-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccsc1
InChIInChI=1S/C12H11FN2O4S2/c1-8(9-5-6-20-7-9)14-21(18,19)11-4-2-3-10(13)12(11)15(16)17/h2-8,14H,1H3
InChIKeyRAZABEUIHRXICJ-UHFFFAOYSA-N
XLogP2.83
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.83
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'}

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Related Compounds

3-fluoro-2-nitro-N-thiophen-3-ylbenzenesulfonamide
CID 112694993
3-fluoro-N-(1-methylsulfonylpropan-2-yl)-2-nitrobenzenesulfonamide
CID 115770384
N-(1-amino-3-methylbutan-2-yl)-3-fluoro-2-nitrobenzenesulfonamide
CID 115993170
3-fluoro-N-(2-hydroxypropyl)-2-nitrobenzenesulfonamide
CID 112702783
3-fluoro-N-[(2R)-2-hydroxypropyl]-2-nitrobenzenesulfonamide
CID 113345507
N-(1-cyanopropyl)-3-fluoro-2-nitrobenzenesulfonamide
CID 112705154
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-2-nitrobenzenesulfonamide
CID 115993179
3-fluoro-N-(2-methylbutyl)-2-nitrobenzenesulfonamide
CID 112674559
4-bromo-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844441
4-[1-(methylamino)ethyl]-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844597
4-fluoro-2,6-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 107327103
3-fluoro-N-hex-5-yn-3-yl-2-nitrobenzenesulfonamide
CID 115650580

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-nitro-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-2-nitro-N-(1-thiophen-3-ylethyl)benzenesulfonamide (CID 115992211) is 3-fluoro-2-nitro-N-(1-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-2-nitro-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-2-nitro-N-(1-thiophen-3-ylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccsc1.
What is the InChIKey of 3-fluoro-2-nitro-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is RAZABEUIHRXICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O4S2/c1-8(9-5-6-20-7-9)14-21(18,19)11-4-2-3-10(13)12(11)15(16)17/h2-8,14H,1H3.
What are the key properties of 3-fluoro-2-nitro-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
3-fluoro-2-nitro-N-(1-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 330.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-nitro-N-(1-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 115992211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).