N-(4-fluoro-3-nitrophenyl)thiophene-2-sulfonamide

C10H7FN2O4S2 — CID 8501150

IUPACN-(4-fluoro-3-nitrophenyl)thiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(NS(=O)(=O)c2cccs2)ccc1F
InChIInChI=1S/C10H7FN2O4S2/c11-8-4-3-7(6-9(8)13(14)15)12-19(16,17)10-2-1-5-18-10/h1-6,12H
InChIKeyQRLIWQQJYVSGFT-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.60
Rot. Bonds4

About N-(4-fluoro-3-nitrophenyl)thiophene-2-sulfonamide

N-(4-fluoro-3-nitrophenyl)thiophene-2-sulfonamide (PubChem CID 8501150) has the molecular formula C10H7FN2O4S2 and a molecular weight of 302.31 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)thiophene-2-sulfonamide
PubChem CID8501150
Molecular FormulaC10H7FN2O4S2
Molecular Weight302.31 g/mol
Exact Mass301.98
IUPAC NameN-(4-fluoro-3-nitrophenyl)thiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(NS(=O)(=O)c2cccs2)ccc1F
InChIInChI=1S/C10H7FN2O4S2/c11-8-4-3-7(6-9(8)13(14)15)12-19(16,17)10-2-1-5-18-10/h1-6,12H
InChIKeyQRLIWQQJYVSGFT-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-fluoro-3-nitrophenyl)-N-methylthiophene-2-sulfonamide;N-(4-fluoro-3-nitrophenyl)thiophene-2-sulfonamide
CID 157226831
[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
CID 25036748
N-(4-fluoro-3-nitrophenyl)benzenesulfonamide
CID 4599069
N-(3-nitrophenyl)thiophene-2-sulfonamide
CID 768865
4-fluoro-3-nitro-N-thiophen-2-ylsulfanylaniline
CID 143022447
N-(4-fluoro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 7939121
N-[3,4-bis(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 2474123
N-[3-(4-chlorophenoxy)-5-nitrophenyl]thiophene-2-sulfonamide
CID 22205504
N-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
CID 110777493
2-carboxy-4-(thiophen-2-ylsulfonylamino)phenolate
CID 54711268
N-(3-bromo-4-fluorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 104777143
4-fluoro-N-methyl-3-nitroaniline
CID 63089505

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)thiophene-2-sulfonamide (CID 8501150) is N-(4-fluoro-3-nitrophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)thiophene-2-sulfonamide is O=[N+]([O-])c1cc(NS(=O)(=O)c2cccs2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)thiophene-2-sulfonamide?
The InChIKey is QRLIWQQJYVSGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O4S2/c11-8-4-3-7(6-9(8)13(14)15)12-19(16,17)10-2-1-5-18-10/h1-6,12H.
What are the key properties of N-(4-fluoro-3-nitrophenyl)thiophene-2-sulfonamide?
N-(4-fluoro-3-nitrophenyl)thiophene-2-sulfonamide 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 N-(4-fluoro-3-nitrophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 8501150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).