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

C12H12ClFN2O2S2 — CID 103050268

IUPAC3-amino-5-chloro-2-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)NCCc2cccs2)c1F
InChIInChI=1S/C12H12ClFN2O2S2/c13-8-6-10(15)12(14)11(7-8)20(17,18)16-4-3-9-2-1-5-19-9/h1-2,5-7,16H,3-4,15H2
InChIKeySCRAQRGKLOZDIR-UHFFFAOYSA-N
MW334.83 g/mol
LogP2.64
Rot. Bonds5

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

3-amino-5-chloro-2-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 103050268) has the molecular formula C12H12ClFN2O2S2 and a molecular weight of 334.83 g/mol. Its IUPAC name is 3-amino-5-chloro-2-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-2-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID103050268
Molecular FormulaC12H12ClFN2O2S2
Molecular Weight334.83 g/mol
Exact Mass334.00
IUPAC Name3-amino-5-chloro-2-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)NCCc2cccs2)c1F
InChIInChI=1S/C12H12ClFN2O2S2/c13-8-6-10(15)12(14)11(7-8)20(17,18)16-4-3-9-2-1-5-19-9/h1-2,5-7,16H,3-4,15H2
InChIKeySCRAQRGKLOZDIR-UHFFFAOYSA-N
XLogP2.64
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 52.64
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

N-(3-chlorophenyl)-2,5-dimethylthiophene-3-sulfonamide
CID 718460
N-(4-chlorophenyl)thiophene-2-sulfonamide
CID 765857
5-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide
CID 5171677
5-chloro-N-[3-(dimethylsulfamoyl)phenyl]thiophene-2-sulfonamide
CID 5212946
2,5-dichloro-N-phenylthiophene-3-sulfonamide
CID 29098931
N-(3-chloro-4-fluorophenyl)thiophene-2-sulfonamide
CID 769036
5-chloro-N-(3-chloro-4-fluorophenyl)thiophene-2-sulfonamide
CID 1091573
5-chloro-N-(4-fluorophenyl)thiophene-2-sulfonamide
CID 893139
5-chloro-N-(2,5-difluorophenyl)thiophene-2-sulfonamide
CID 2103302
5-chloro-N-(2,4-difluorophenyl)thiophene-2-sulfonamide
CID 7004250
N-[5-chloro-2-(methylsulfinyl)phenyl]thiophene-2-sulfonamide
CID 67972821
N-(2-chlorophenyl)thiophene-2-sulfonamide
CID 765852

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-2-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-2-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 103050268) is 3-amino-5-chloro-2-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-2-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-2-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide is Nc1cc(Cl)cc(S(=O)(=O)NCCc2cccs2)c1F.
What is the InChIKey of 3-amino-5-chloro-2-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is SCRAQRGKLOZDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O2S2/c13-8-6-10(15)12(14)11(7-8)20(17,18)16-4-3-9-2-1-5-19-9/h1-2,5-7,16H,3-4,15H2.
What are the key properties of 3-amino-5-chloro-2-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
3-amino-5-chloro-2-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 334.83 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-2-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 103050268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).