N-(3-fluoro-5-nitrophenyl)sulfonylthiophene-2-carboxamide

C11H7FN2O5S2 — CID 87022888

IUPACN-(3-fluoro-5-nitrophenyl)sulfonylthiophene-2-carboxamide
SMILESO=C(NS(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccs1
InChIInChI=1S/C11H7FN2O5S2/c12-7-4-8(14(16)17)6-9(5-7)21(18,19)13-11(15)10-2-1-3-20-10/h1-6H,(H,13,15)
InChIKeyGLFFERFZUKVQEX-UHFFFAOYSA-N
MW330.32 g/mol
LogP1.91
Rot. Bonds4

About N-(3-fluoro-5-nitrophenyl)sulfonylthiophene-2-carboxamide

N-(3-fluoro-5-nitrophenyl)sulfonylthiophene-2-carboxamide (PubChem CID 87022888) has the molecular formula C11H7FN2O5S2 and a molecular weight of 330.32 g/mol. Its IUPAC name is N-(3-fluoro-5-nitrophenyl)sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-5-nitrophenyl)sulfonylthiophene-2-carboxamide
PubChem CID87022888
Molecular FormulaC11H7FN2O5S2
Molecular Weight330.32 g/mol
Exact Mass329.98
IUPAC NameN-(3-fluoro-5-nitrophenyl)sulfonylthiophene-2-carboxamide
SMILESO=C(NS(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccs1
InChIInChI=1S/C11H7FN2O5S2/c12-7-4-8(14(16)17)6-9(5-7)21(18,19)13-11(15)10-2-1-3-20-10/h1-6H,(H,13,15)
InChIKeyGLFFERFZUKVQEX-UHFFFAOYSA-N
XLogP1.91
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(2S)-N-(3-fluoro-5-nitrophenyl)sulfonyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 166343193
N-[(4-nitrophenyl)methylsulfonyl]thiophene-2-carboxamide
CID 86997903
N-[4-(methylcarbamoylamino)phenyl]sulfonylthiophene-2-carboxamide
CID 15097317
1-(4-bromophenyl)-N-(3-fluoro-5-nitrophenyl)sulfonylcyclobutane-1-carboxamide
CID 112844255
N-(3,5-difluorophenyl)thiophene-2-carboxamide
CID 2986846
N-[(3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide
CID 739011
N-[3-(4-nitroanilino)propyl]thiophene-2-carboxamide
CID 3110729
N-[(2S)-2-(4-nitrophenyl)propyl]thiophene-2-carboxamide
CID 2211824
3-fluoro-5-nitro-N-(2-thiophen-2-ylethyl)aniline
CID 60877639
N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide
CID 61129962
N-[(E)-(4-nitrophenyl)methylideneamino]thiophene-2-carboxamide
CID 6869209
N-(3,4-dinitrophenyl)thiophene-2-carboxamide
CID 86673965

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-nitrophenyl)sulfonylthiophene-2-carboxamide?
The IUPAC name of N-(3-fluoro-5-nitrophenyl)sulfonylthiophene-2-carboxamide (CID 87022888) is N-(3-fluoro-5-nitrophenyl)sulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-5-nitrophenyl)sulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(3-fluoro-5-nitrophenyl)sulfonylthiophene-2-carboxamide is O=C(NS(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccs1.
What is the InChIKey of N-(3-fluoro-5-nitrophenyl)sulfonylthiophene-2-carboxamide?
The InChIKey is GLFFERFZUKVQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O5S2/c12-7-4-8(14(16)17)6-9(5-7)21(18,19)13-11(15)10-2-1-3-20-10/h1-6H,(H,13,15).
What are the key properties of N-(3-fluoro-5-nitrophenyl)sulfonylthiophene-2-carboxamide?
N-(3-fluoro-5-nitrophenyl)sulfonylthiophene-2-carboxamide has a molecular weight of 330.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-nitrophenyl)sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 87022888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).