5-amino-3-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide

C12H12ClFN2O2S2 — CID 43534320

IUPAC5-amino-3-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(N)cc(Cl)c1F)c1cccs1
InChIInChI=1S/C12H12ClFN2O2S2/c1-7(10-3-2-4-19-10)16-20(17,18)11-6-8(15)5-9(13)12(11)14/h2-7,16H,15H2,1H3
InChIKeyOXAPCGMRGIYCJL-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.16
Rot. Bonds4

About 5-amino-3-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide

5-amino-3-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 43534320) has the molecular formula C12H12ClFN2O2S2 and a molecular weight of 334.83 g/mol. Its IUPAC name is 5-amino-3-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID43534320
Molecular FormulaC12H12ClFN2O2S2
Molecular Weight334.83 g/mol
Exact Mass334.00
IUPAC Name5-amino-3-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(N)cc(Cl)c1F)c1cccs1
InChIInChI=1S/C12H12ClFN2O2S2/c1-7(10-3-2-4-19-10)16-20(17,18)11-6-8(15)5-9(13)12(11)14/h2-7,16H,15H2,1H3
InChIKeyOXAPCGMRGIYCJL-UHFFFAOYSA-N
XLogP3.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide (CID 43534320) is 5-amino-3-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1cc(N)cc(Cl)c1F)c1cccs1.
What is the InChIKey of 5-amino-3-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is OXAPCGMRGIYCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O2S2/c1-7(10-3-2-4-19-10)16-20(17,18)11-6-8(15)5-9(13)12(11)14/h2-7,16H,15H2,1H3.
What are the key properties of 5-amino-3-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
5-amino-3-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 334.83 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 43534320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).