3-amino-4-fluoro-N-(thiophen-3-ylmethyl)benzenesulfonamide

C11H11FN2O2S2 — CID 55175261

IUPAC3-amino-4-fluoro-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCc2ccsc2)ccc1F
InChIInChI=1S/C11H11FN2O2S2/c12-10-2-1-9(5-11(10)13)18(15,16)14-6-8-3-4-17-7-8/h1-5,7,14H,6,13H2
InChIKeyPCOGZYBFIYIGGC-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.95
Rot. Bonds4

About 3-amino-4-fluoro-N-(thiophen-3-ylmethyl)benzenesulfonamide

3-amino-4-fluoro-N-(thiophen-3-ylmethyl)benzenesulfonamide (PubChem CID 55175261) has the molecular formula C11H11FN2O2S2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-(thiophen-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-(thiophen-3-ylmethyl)benzenesulfonamide
PubChem CID55175261
Molecular FormulaC11H11FN2O2S2
Molecular Weight286.35 g/mol
Exact Mass286.02
IUPAC Name3-amino-4-fluoro-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCc2ccsc2)ccc1F
InChIInChI=1S/C11H11FN2O2S2/c12-10-2-1-9(5-11(10)13)18(15,16)14-6-8-3-4-17-7-8/h1-5,7,14H,6,13H2
InChIKeyPCOGZYBFIYIGGC-UHFFFAOYSA-N
XLogP1.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-benzyl-4-fluorobenzenesulfonamide
CID 29272366
3-amino-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 43363753
3-amino-4-fluoro-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 61126580
3-amino-4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 62539057
3-amino-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 29269508
4-cyano-3-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 106833060
4-chloro-3-fluoro-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 81450686
5,6-dichloro-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide
CID 64606892
3-amino-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65104000
3-amino-4-nitro-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 82847383
4-amino-3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 115330027
3-fluoro-4-(thiophen-3-ylmethylamino)benzenesulfonamide
CID 60964601

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-fluoro-N-(thiophen-3-ylmethyl)benzenesulfonamide (CID 55175261) is 3-amino-4-fluoro-N-(thiophen-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-fluoro-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-fluoro-N-(thiophen-3-ylmethyl)benzenesulfonamide is Nc1cc(S(=O)(=O)NCc2ccsc2)ccc1F.
What is the InChIKey of 3-amino-4-fluoro-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The InChIKey is PCOGZYBFIYIGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2S2/c12-10-2-1-9(5-11(10)13)18(15,16)14-6-8-3-4-17-7-8/h1-5,7,14H,6,13H2.
What are the key properties of 3-amino-4-fluoro-N-(thiophen-3-ylmethyl)benzenesulfonamide?
3-amino-4-fluoro-N-(thiophen-3-ylmethyl)benzenesulfonamide has a molecular weight of 286.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-(thiophen-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 55175261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).