3-fluoro-2-nitro-N-thiophen-3-ylbenzenesulfonamide

C10H7FN2O4S2 — CID 112694993

IUPAC3-fluoro-2-nitro-N-thiophen-3-ylbenzenesulfonamide
SMILESO=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ccsc1
InChIInChI=1S/C10H7FN2O4S2/c11-8-2-1-3-9(10(8)13(14)15)19(16,17)12-7-4-5-18-6-7/h1-6,12H
InChIKeyYYTZCRDUACMEEI-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.60
Rot. Bonds4

About 3-fluoro-2-nitro-N-thiophen-3-ylbenzenesulfonamide

3-fluoro-2-nitro-N-thiophen-3-ylbenzenesulfonamide (PubChem CID 112694993) has the molecular formula C10H7FN2O4S2 and a molecular weight of 302.31 g/mol. Its IUPAC name is 3-fluoro-2-nitro-N-thiophen-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-2-nitro-N-thiophen-3-ylbenzenesulfonamide
PubChem CID112694993
Molecular FormulaC10H7FN2O4S2
Molecular Weight302.31 g/mol
Exact Mass301.98
IUPAC Name3-fluoro-2-nitro-N-thiophen-3-ylbenzenesulfonamide
SMILESO=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ccsc1
InChIInChI=1S/C10H7FN2O4S2/c11-8-2-1-3-9(10(8)13(14)15)19(16,17)12-7-4-5-18-6-7/h1-6,12H
InChIKeyYYTZCRDUACMEEI-UHFFFAOYSA-N
XLogP2.60
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.60
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

N-(4-chlorophenyl)-3-fluoro-2-nitrobenzenesulfonamide
CID 115584203
3-fluoro-2-nitro-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 115992211
3-fluoro-N-(3-iodophenyl)-2-nitrobenzenesulfonamide
CID 115584207
3-fluoro-N-(1-methylpyrazol-4-yl)-2-nitrobenzenesulfonamide
CID 47345276
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-fluoro-2-nitrobenzenesulfonamide
CID 115589504
4-(methylamino)-2-nitro-N-thiophen-3-ylbenzenesulfonamide
CID 66355471
4-amino-2-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66350557
3-fluoro-N-[(2R)-2-hydroxypropyl]-2-nitrobenzenesulfonamide
CID 113345507
3-fluoro-N-(2-hydroxypropyl)-2-nitrobenzenesulfonamide
CID 112702783
2-hydrazinyl-5-nitro-N-thiophen-3-ylbenzenesulfonamide
CID 66355013
N-(4-chloro-2-pyridinyl)-3-fluoro-2-nitrobenzenesulfonamide
CID 115687638
3-fluoro-N-(2-methylbutyl)-2-nitrobenzenesulfonamide
CID 112674559

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-nitro-N-thiophen-3-ylbenzenesulfonamide?
The IUPAC name of 3-fluoro-2-nitro-N-thiophen-3-ylbenzenesulfonamide (CID 112694993) is 3-fluoro-2-nitro-N-thiophen-3-ylbenzenesulfonamide.
What is the SMILES notation for 3-fluoro-2-nitro-N-thiophen-3-ylbenzenesulfonamide?
The canonical SMILES for 3-fluoro-2-nitro-N-thiophen-3-ylbenzenesulfonamide is O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ccsc1.
What is the InChIKey of 3-fluoro-2-nitro-N-thiophen-3-ylbenzenesulfonamide?
The InChIKey is YYTZCRDUACMEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O4S2/c11-8-2-1-3-9(10(8)13(14)15)19(16,17)12-7-4-5-18-6-7/h1-6,12H.
What are the key properties of 3-fluoro-2-nitro-N-thiophen-3-ylbenzenesulfonamide?
3-fluoro-2-nitro-N-thiophen-3-ylbenzenesulfonamide has a molecular weight of 302.31 g/mol, XLogP of 2.60, 4 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-thiophen-3-ylbenzenesulfonamide is sourced from PubChem (CID 112694993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).